(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

C15H26N4O3 — CID 10870624

IUPAC(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@]1(NC(=O)[C@@H]2CCCN2)CCN(CC(N)=O)C1=O
InChIInChI=1S/C15H26N4O3/c1-2-3-6-15(18-13(21)11-5-4-8-17-11)7-9-19(14(15)22)10-12(16)20/h11,17H,2-10H2,1H3,(H2,16,20)(H,18,21)/t11-,15+/m0/s1
InChIKeyKSXRKRQEVCFJEJ-XHDPSFHLSA-N
MW310.40 g/mol
LogP-0.50
Rot. Bonds7

About (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide

(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (PubChem CID 10870624) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
PubChem CID10870624
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
SMILESCCCC[C@@]1(NC(=O)[C@@H]2CCCN2)CCN(CC(N)=O)C1=O
InChIInChI=1S/C15H26N4O3/c1-2-3-6-15(18-13(21)11-5-4-8-17-11)7-9-19(14(15)22)10-12(16)20/h11,17H,2-10H2,1H3,(H2,16,20)(H,18,21)/t11-,15+/m0/s1
InChIKeyKSXRKRQEVCFJEJ-XHDPSFHLSA-N
XLogP-0.50
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide (CID 10870624) is (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is CCCC[C@@]1(NC(=O)[C@@H]2CCCN2)CCN(CC(N)=O)C1=O.
What is the InChIKey of (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is KSXRKRQEVCFJEJ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-2-3-6-15(18-13(21)11-5-4-8-17-11)7-9-19(14(15)22)10-12(16)20/h11,17H,2-10H2,1H3,(H2,16,20)(H,18,21)/t11-,15+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide?
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-3-butyl-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10870624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).