(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide

C7H12N2O2 — CID 40586169

IUPAC(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(N)=O)CC1=O
InChIInChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)/t5-/m0/s1
InChIKeyTWJSDJTWVVOXRT-YFKPBYRVSA-N
MW156.18 g/mol
LogP-0.66
Rot. Bonds2

About (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 40586169) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID40586169
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(N)=O)CC1=O
InChIInChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)/t5-/m0/s1
InChIKeyTWJSDJTWVVOXRT-YFKPBYRVSA-N
XLogP-0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
1-methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 40586169) is (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@@H](C(N)=O)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is TWJSDJTWVVOXRT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)/t5-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).