2-[(2-methylcyclopentanecarbonyl)amino]acetic acid

C9H15NO3 — CID 107175041

IUPAC2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
SMILESCC1CCCC1C(=O)NCC(=O)O
InChIInChI=1S/C9H15NO3/c1-6-3-2-4-7(6)9(13)10-5-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyVCUOUSOWJFNTAQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.62
Rot. Bonds3

About 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid

2-[(2-methylcyclopentanecarbonyl)amino]acetic acid (PubChem CID 107175041) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
PubChem CID107175041
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
SMILESCC1CCCC1C(=O)NCC(=O)O
InChIInChI=1S/C9H15NO3/c1-6-3-2-4-7(6)9(13)10-5-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyVCUOUSOWJFNTAQ-UHFFFAOYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
2-[(3-methylpiperidine-4-carbonyl)amino]acetic acid
CID 130516226
N-(2-amino-2-oxoethyl)-2,3-dimethylcyclohexane-1-carboxamide
CID 10262611
3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
CID 107175600
(3S)-5-methyl-3-[[(2-methylcyclopentanecarbonyl)amino]methyl]hexanoic acid
CID 107175625
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-methyl-N-[2-methyl-3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 107180996
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
CID 107184243
4-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175538
N-[2-(cycloheptylamino)ethyl]-2-methylcyclopentane-1-carboxamide
CID 107181007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid (CID 107175041) is 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid is CC1CCCC1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid?
The InChIKey is VCUOUSOWJFNTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-3-2-4-7(6)9(13)10-5-8(11)12/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid?
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid has a molecular weight of 185.22 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentanecarbonyl)amino]acetic acid is sourced from PubChem (CID 107175041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).