3-(cyclopentylmethylamino)-3-oxopropanoic acid

C9H15NO3 — CID 62232432

IUPAC3-(cyclopentylmethylamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCC1CCCC1
InChIInChI=1S/C9H15NO3/c11-8(5-9(12)13)10-6-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)
InChIKeyNTNQNOVIFQULOV-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds4

About 3-(cyclopentylmethylamino)-3-oxopropanoic acid

3-(cyclopentylmethylamino)-3-oxopropanoic acid (PubChem CID 62232432) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)-3-oxopropanoic acid
PubChem CID62232432
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(cyclopentylmethylamino)-3-oxopropanoic acid
SMILESO=C(O)CC(=O)NCC1CCCC1
InChIInChI=1S/C9H15NO3/c11-8(5-9(12)13)10-6-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13)
InChIKeyNTNQNOVIFQULOV-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61197830
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
5-(cyclobutylmethylamino)-5-oxopentanoic acid
CID 43529068
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
(3Z)-3-amino-N-(cyclohexylmethyl)-3-hydroxyiminopropanamide
CID 43371707
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
4-(cycloheptylmethylcarbamoylamino)butanoic acid
CID 122016431
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)-3-oxopropanoic acid?
The IUPAC name of 3-(cyclopentylmethylamino)-3-oxopropanoic acid (CID 62232432) is 3-(cyclopentylmethylamino)-3-oxopropanoic acid.
What is the SMILES notation for 3-(cyclopentylmethylamino)-3-oxopropanoic acid?
The canonical SMILES for 3-(cyclopentylmethylamino)-3-oxopropanoic acid is O=C(O)CC(=O)NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)-3-oxopropanoic acid?
The InChIKey is NTNQNOVIFQULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(5-9(12)13)10-6-7-3-1-2-4-7/h7H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of 3-(cyclopentylmethylamino)-3-oxopropanoic acid?
3-(cyclopentylmethylamino)-3-oxopropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)-3-oxopropanoic acid is sourced from PubChem (CID 62232432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).