(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

C17H32N4O3 — CID 10497377

IUPAC(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyBENNJCHHUVVJJK-QWHCGFSZSA-N
MW340.47 g/mol
LogP0.43
Rot. Bonds9

About (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 10497377) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID10497377
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O
InChIInChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1
InChIKeyBENNJCHHUVVJJK-QWHCGFSZSA-N
XLogP0.43
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide (CID 10497377) is (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is CCC(CC)(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(N)=O.
What is the InChIKey of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BENNJCHHUVVJJK-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-5-17(6-2,16(18)24)21-15(23)13(10-11(3)4)20-14(22)12-8-7-9-19-12/h11-13,19H,5-10H2,1-4H3,(H2,18,24)(H,20,22)(H,21,23)/t12-,13+/m0/s1.
What are the key properties of (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 0.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-(3-carbamoylpentan-3-ylamino)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10497377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).