3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid

C11H17NO3 — CID 62230761

IUPAC3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
SMILESC=CCN(C(=O)CC(=O)O)C1CCCC1
InChIInChI=1S/C11H17NO3/c1-2-7-12(9-5-3-4-6-9)10(13)8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyXZPRFHCEPJWUQA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds5

About 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid

3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid (PubChem CID 62230761) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
PubChem CID62230761
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid
SMILESC=CCN(C(=O)CC(=O)O)C1CCCC1
InChIInChI=1S/C11H17NO3/c1-2-7-12(9-5-3-4-6-9)10(13)8-11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyXZPRFHCEPJWUQA-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclohexyl(prop-2-enyl)amino]propanoic acid
CID 82327969
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346
3-(tert-butylamino)-N-cyclopentyl-N-prop-2-enylpropanamide
CID 54872939
2-(4-aminopiperidin-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
CID 79327937
N-cyclopentyl-2-methyl-2-(methylamino)-N-prop-2-enylpropanamide
CID 62847810
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
CID 79345819
[carboxy(cyclohexyl)amino]methyl-cyclohexylcarbamic acid
CID 151845320
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275634
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
CID 79814024

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid (CID 62230761) is 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid is C=CCN(C(=O)CC(=O)O)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid?
The InChIKey is XZPRFHCEPJWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-7-12(9-5-3-4-6-9)10(13)8-11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid?
3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(prop-2-enyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62230761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).