2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide

C14H24N2O3 — CID 172806671

IUPAC2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
SMILESCCCC(CC)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O
InChIInChI=1S/C14H24N2O3/c1-3-5-10(4-2)14(19)16-12(9-17)8-11-6-7-15-13(11)18/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,19)/t10?,11-,12-/m0/s1
InChIKeyRPKNPHSHRNLWKC-RAMGSTBQSA-N
MW268.36 g/mol
LogP1.02
Rot. Bonds8

About 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide

2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide (PubChem CID 172806671) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
PubChem CID172806671
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
SMILESCCCC(CC)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O
InChIInChI=1S/C14H24N2O3/c1-3-5-10(4-2)14(19)16-12(9-17)8-11-6-7-15-13(11)18/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,19)/t10?,11-,12-/m0/s1
InChIKeyRPKNPHSHRNLWKC-RAMGSTBQSA-N
XLogP1.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

CID 174029612
CID 174029612
(4-propylcyclohexyl) N-[4-methyl-1-oxo-1-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]pentan-2-yl]carbamate
CID 175392202
2-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide
CID 164850299
(4-butylcyclohexyl) N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 154699460
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
(2S)-3,3-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-2-(3-phenylprop-2-enoylamino)butanamide
CID 162515913
benzyl N-[(2S)-5-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]hexan-2-yl]carbamate
CID 166881821
2-amino-N-[(2S)-1-oxo-3-(2-oxopiperidin-3-yl)propan-2-yl]acetamide;prop-1-ene
CID 155736218
2-phenylethyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 170898224
N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 175890945
1-phenylethyl N-[(2S)-3-(1-ethylcyclopropyl)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]carbamate
CID 175851476
benzyl N-[3,3,4-trimethyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
CID 156883934

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The IUPAC name of 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide (CID 172806671) is 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide.
What is the SMILES notation for 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The canonical SMILES for 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide is CCCC(CC)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O.
What is the InChIKey of 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
The InChIKey is RPKNPHSHRNLWKC-RAMGSTBQSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-10(4-2)14(19)16-12(9-17)8-11-6-7-15-13(11)18/h9-12H,3-8H2,1-2H3,(H,15,18)(H,16,19)/t10?,11-,12-/m0/s1.
What are the key properties of 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide?
2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide has a molecular weight of 268.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pentanamide is sourced from PubChem (CID 172806671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).