2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid

C19H33N3O8 — CID 135210925

IUPAC2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
SMILESCCCC[C@H](NC(=O)CN(CC(=O)O)C(=O)N[C@@H](CCCC)C(=O)OC)C(=O)OC
InChIInChI=1S/C19H33N3O8/c1-5-7-9-13(17(26)29-3)20-15(23)11-22(12-16(24)25)19(28)21-14(10-8-6-2)18(27)30-4/h13-14H,5-12H2,1-4H3,(H,20,23)(H,21,28)(H,24,25)/t13-,14-/m0/s1
InChIKeyBAGSBWCJMPGCCL-KBPBESRZSA-N
MW431.49 g/mol
LogP0.66
Rot. Bonds14

About 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid

2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid (PubChem CID 135210925) has the molecular formula C19H33N3O8 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
PubChem CID135210925
Molecular FormulaC19H33N3O8
Molecular Weight431.49 g/mol
Exact Mass431.23
IUPAC Name2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
SMILESCCCC[C@H](NC(=O)CN(CC(=O)O)C(=O)N[C@@H](CCCC)C(=O)OC)C(=O)OC
InChIInChI=1S/C19H33N3O8/c1-5-7-9-13(17(26)29-3)20-15(23)11-22(12-16(24)25)19(28)21-14(10-8-6-2)18(27)30-4/h13-14H,5-12H2,1-4H3,(H,20,23)(H,21,28)(H,24,25)/t13-,14-/m0/s1
InChIKeyBAGSBWCJMPGCCL-KBPBESRZSA-N
XLogP0.66
TPSA151.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid with MolForge

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Related Compounds

5-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-3-[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-5-oxopentanoic acid
CID 135210774
methyl 2-[(2-ethoxyacetyl)amino]hexanoate
CID 156704920
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
(2S)-2-[[2-[[(1S)-1-carboxypentyl]carbamoyl-[2-oxo-2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]ethyl]amino]acetyl]amino]hexanoic acid
CID 135210952
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
2-[ethyl(octan-4-ylcarbamoyl)amino]acetic acid
CID 113364267
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 2-acetamidooctanoate
CID 6429509
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
methyl (2S)-6-amino-2-(hexanoylamino)hexanoate;hydrochloride
CID 139747239

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid (CID 135210925) is 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid is CCCC[C@H](NC(=O)CN(CC(=O)O)C(=O)N[C@@H](CCCC)C(=O)OC)C(=O)OC.
What is the InChIKey of 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid?
The InChIKey is BAGSBWCJMPGCCL-KBPBESRZSA-N. The full InChI is InChI=1S/C19H33N3O8/c1-5-7-9-13(17(26)29-3)20-15(23)11-22(12-16(24)25)19(28)21-14(10-8-6-2)18(27)30-4/h13-14H,5-12H2,1-4H3,(H,20,23)(H,21,28)(H,24,25)/t13-,14-/m0/s1.
What are the key properties of 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid?
2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid has a molecular weight of 431.49 g/mol, XLogP of 0.66, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 135210925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).