(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

C19H30N4O4 — CID 13312519

IUPAC(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C19H30N4O4/c20-17(25)15-7-4-10-23(15)19(27)14(11-12-5-2-1-3-6-12)22-18(26)13-8-9-16(24)21-13/h12-15H,1-11H2,(H2,20,25)(H,21,24)(H,22,26)/t13-,14-,15-/m0/s1
InChIKeyLGVQPHFNYDQRNG-KKUMJFAQSA-N
MW378.47 g/mol
LogP0.20
Rot. Bonds6

About (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 13312519) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID13312519
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C19H30N4O4/c20-17(25)15-7-4-10-23(15)19(27)14(11-12-5-2-1-3-6-12)22-18(26)13-8-9-16(24)21-13/h12-15H,1-11H2,(H2,20,25)(H,21,24)(H,22,26)/t13-,14-,15-/m0/s1
InChIKeyLGVQPHFNYDQRNG-KKUMJFAQSA-N
XLogP0.20
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-1-{[(2S,4R)-4-cyclohexyl-2-pyrrolidinyl]carbonyl}-2-pyrrolidinecarbonitrile
CID 44429122
Cyclohexyl(glycinyl)-prolinyl-valinyl-L-boroproline
CID 54580221
Proline scaffold, 34
CID 42618131
H-DL-Pyr-DL-Leu-DL-Leu-DL-Pro-NH2
CID 3103042
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44306586
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
5-Oxo-L-prolyl-L-leucyl-L-prolinamide
CID 191115
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 13312519) is (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LGVQPHFNYDQRNG-KKUMJFAQSA-N. The full InChI is InChI=1S/C19H30N4O4/c20-17(25)15-7-4-10-23(15)19(27)14(11-12-5-2-1-3-6-12)22-18(26)13-8-9-16(24)21-13/h12-15H,1-11H2,(H2,20,25)(H,21,24)(H,22,26)/t13-,14-,15-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 13312519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).