5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid

C10H16N2O4 — CID 11390539

IUPAC5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
SMILESNC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-2-6-12(7)8(13)4-1-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)/t7-/m0/s1
InChIKeyIVAOFFBWAFPQKC-ZETCQYMHSA-N
MW228.25 g/mol
LogP-0.28
Rot. Bonds5

About 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid

5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid (PubChem CID 11390539) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
PubChem CID11390539
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
SMILESNC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)O
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-2-6-12(7)8(13)4-1-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)/t7-/m0/s1
InChIKeyIVAOFFBWAFPQKC-ZETCQYMHSA-N
XLogP-0.28
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
pentanedioic acid;bis(1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide)
CID 69430454
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43406528
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid (CID 11390539) is 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid is NC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)O.
What is the InChIKey of 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid?
The InChIKey is IVAOFFBWAFPQKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-10(16)7-3-2-6-12(7)8(13)4-1-5-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)/t7-/m0/s1.
What are the key properties of 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid?
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 11390539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).