4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid

C14H19NO2 — CID 61312384

IUPAC4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c16-13(17)7-4-10-15-14(12-8-9-12)11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2,(H,16,17)
InChIKeySKRWWROVQPZUAQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds7

About 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid

4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid (PubChem CID 61312384) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
PubChem CID61312384
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
SMILESO=C(O)CCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C14H19NO2/c16-13(17)7-4-10-15-14(12-8-9-12)11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2,(H,16,17)
InChIKeySKRWWROVQPZUAQ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid
CID 43361844
3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
2-[3-[[cyclopropyl(phenyl)methyl]amino]propyl]isoindole-1,3-dione
CID 112809038

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid?
The IUPAC name of 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid (CID 61312384) is 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid.
What is the SMILES notation for 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid?
The canonical SMILES for 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid is O=C(O)CCCNC(c1ccccc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid?
The InChIKey is SKRWWROVQPZUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13(17)7-4-10-15-14(12-8-9-12)11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2,(H,16,17).
What are the key properties of 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid?
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid is sourced from PubChem (CID 61312384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).