2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid

C8H13NO3 — CID 64687877

IUPAC2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid
SMILESCC1(NC(=O)C(=O)O)CCCC1
InChIInChI=1S/C8H13NO3/c1-8(4-2-3-5-8)9-6(10)7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyKLMAFDBKJLMYGK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds1

About 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid

2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid (PubChem CID 64687877) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid
PubChem CID64687877
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid
SMILESCC1(NC(=O)C(=O)O)CCCC1
InChIInChI=1S/C8H13NO3/c1-8(4-2-3-5-8)9-6(10)7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyKLMAFDBKJLMYGK-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid (CID 64687877) is 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid is CC1(NC(=O)C(=O)O)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid?
The InChIKey is KLMAFDBKJLMYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(4-2-3-5-8)9-6(10)7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid?
2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 64687877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).