2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid

C13H22N2O3 — CID 64702309

IUPAC2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1(C(=O)NC2(CC(=O)O)CCCC2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-12(5-4-8-14-12)11(18)15-13(9-10(16)17)6-2-3-7-13/h14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVYDKPXPVQLAWEZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid

2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 64702309) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID64702309
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESCC1(C(=O)NC2(CC(=O)O)CCCC2)CCCN1
InChIInChI=1S/C13H22N2O3/c1-12(5-4-8-14-12)11(18)15-13(9-10(16)17)6-2-3-7-13/h14H,2-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyVYDKPXPVQLAWEZ-UHFFFAOYSA-N
XLogP1.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
CID 113430878
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100
N-[(2,2-dimethylcyclopropyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 103822228
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
2-methyl-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 115747557
N-(2-amino-2-oxoethoxy)-2-methylpiperidine-2-carboxamide
CID 104597213

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid (CID 64702309) is 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid is CC1(C(=O)NC2(CC(=O)O)CCCC2)CCCN1.
What is the InChIKey of 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is VYDKPXPVQLAWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-12(5-4-8-14-12)11(18)15-13(9-10(16)17)6-2-3-7-13/h14H,2-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpyrrolidine-2-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64702309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).