2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

C13H20N2O4 — CID 43630818

IUPAC2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-2-3-10(13(18)19)14-12(17)8-6-11(16)15(7-8)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyHCIYNNWUSVZFLY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds6

About 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 43630818) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID43630818
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-2-3-10(13(18)19)14-12(17)8-6-11(16)15(7-8)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyHCIYNNWUSVZFLY-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
(2R)-4-methyl-2-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119364518
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylpentanoic acid
CID 43356547
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
(2S)-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 107144065
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119504992

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid (CID 43630818) is 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is CCCC(NC(=O)C1CC(=O)N(C2CC2)C1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is HCIYNNWUSVZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-3-10(13(18)19)14-12(17)8-6-11(16)15(7-8)9-4-5-9/h8-10H,2-7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid?
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).