(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C69H90N18O15 — CID 163956806

IUPAC(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCOc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(N)=O)cc12.COc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12.COc1nccc2[nH]c(C(=O)O)cc12.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C23H30N6O5.C23H28N6O4.C14H24N4O3.C9H8N2O3/c1-34-23-14-11-18(27-15(14)6-8-26-23)22(33)29-17(9-12-4-5-12)21(32)28-16(19(24)30)10-13-3-2-7-25-20(13)31;1-33-23-16-11-19(28-17(16)6-8-26-23)22(32)29-18(9-13-4-5-13)21(31)27-15(12-24)10-14-3-2-7-25-20(14)30;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;1-14-8-5-4-7(9(12)13)11-6(5)2-3-10-8/h6,8,11-13,16-17,27H,2-5,7,9-10H2,1H3,(H2,24,30)(H,25,31)(H,28,32)(H,29,33);6,8,11,13-15,18,28H,2-5,7,9-10H2,1H3,(H,25,30)(H,27,31)(H,29,32);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);2-4,11H,1H3,(H,12,13)/t13-,16-,17-;14-,15-,18-;9-,10-,11-;/m000./s1
InChIKeySEBRIIKGYVGLHG-QPWFUILUSA-N
MW1411.59 g/mol
LogP2.02
Rot. Bonds28

About (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 163956806) has the molecular formula C69H90N18O15 and a molecular weight of 1411.59 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID163956806
Molecular FormulaC69H90N18O15
Molecular Weight1411.59 g/mol
Exact Mass1410.68
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCOc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(N)=O)cc12.COc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12.COc1nccc2[nH]c(C(=O)O)cc12.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C23H30N6O5.C23H28N6O4.C14H24N4O3.C9H8N2O3/c1-34-23-14-11-18(27-15(14)6-8-26-23)22(33)29-17(9-12-4-5-12)21(32)28-16(19(24)30)10-13-3-2-7-25-20(13)31;1-33-23-16-11-19(28-17(16)6-8-26-23)22(32)29-18(9-13-4-5-13)21(31)27-15(12-24)10-14-3-2-7-25-20(14)30;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;1-14-8-5-4-7(9(12)13)11-6(5)2-3-10-8/h6,8,11-13,16-17,27H,2-5,7,9-10H2,1H3,(H2,24,30)(H,25,31)(H,28,32)(H,29,33);6,8,11,13-15,18,28H,2-5,7,9-10H2,1H3,(H,25,30)(H,27,31)(H,29,32);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);2-4,11H,1H3,(H,12,13)/t13-,16-,17-;14-,15-,18-;9-,10-,11-;/m000./s1
InChIKeySEBRIIKGYVGLHG-QPWFUILUSA-N
XLogP2.02
TPSA519.82 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001411.59
LogP ≤ 52.02
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Analyze (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 163956806) is (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is COc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@@H](C[C@@H]3CCCNC3=O)C(N)=O)cc12.COc1nccc2[nH]c(C(=O)N[C@@H](CC3CC3)C(=O)N[C@H](C#N)C[C@@H]3CCCNC3=O)cc12.COc1nccc2[nH]c(C(=O)O)cc12.NC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is SEBRIIKGYVGLHG-QPWFUILUSA-N. The full InChI is InChI=1S/C23H30N6O5.C23H28N6O4.C14H24N4O3.C9H8N2O3/c1-34-23-14-11-18(27-15(14)6-8-26-23)22(33)29-17(9-12-4-5-12)21(32)28-16(19(24)30)10-13-3-2-7-25-20(13)31;1-33-23-16-11-19(28-17(16)6-8-26-23)22(32)29-18(9-13-4-5-13)21(31)27-15(12-24)10-14-3-2-7-25-20(14)30;15-10(6-8-3-4-8)14(21)18-11(12(16)19)7-9-2-1-5-17-13(9)20;1-14-8-5-4-7(9(12)13)11-6(5)2-3-10-8/h6,8,11-13,16-17,27H,2-5,7,9-10H2,1H3,(H2,24,30)(H,25,31)(H,28,32)(H,29,33);6,8,11,13-15,18,28H,2-5,7,9-10H2,1H3,(H,25,30)(H,27,31)(H,29,32);8-11H,1-7,15H2,(H2,16,19)(H,17,20)(H,18,21);2-4,11H,1H3,(H,12,13)/t13-,16-,17-;14-,15-,18-;9-,10-,11-;/m000./s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
(2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 1411.59 g/mol, XLogP of 2.02, 28 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-3-cyclopropylpropanamide;N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 163956806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).