4-[(4-cyclopropylphenyl)methylamino]butanoic acid

C14H19NO2 — CID 79979436

IUPAC4-[(4-cyclopropylphenyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1ccc(C2CC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)2-1-9-15-10-11-3-5-12(6-4-11)13-7-8-13/h3-6,13,15H,1-2,7-10H2,(H,16,17)
InChIKeySHLLVCUAWZLZFF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds7

About 4-[(4-cyclopropylphenyl)methylamino]butanoic acid

4-[(4-cyclopropylphenyl)methylamino]butanoic acid (PubChem CID 79979436) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(4-cyclopropylphenyl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylphenyl)methylamino]butanoic acid
PubChem CID79979436
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(4-cyclopropylphenyl)methylamino]butanoic acid
SMILESO=C(O)CCCNCc1ccc(C2CC2)cc1
InChIInChI=1S/C14H19NO2/c16-14(17)2-1-9-15-10-11-3-5-12(6-4-11)13-7-8-13/h3-6,13,15H,1-2,7-10H2,(H,16,17)
InChIKeySHLLVCUAWZLZFF-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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

ethyl 4-[(4-cyclopropylphenyl)methylamino]butanoate
CID 79984845
4-[(4-phenylcyclohexyl)methylamino]butanoic acid
CID 122035940
4-[(4-tert-butylphenyl)methylamino]butanoic acid
CID 16770044
3-[[4-[(2-carboxyethylamino)methyl]phenyl]methylamino]propanoic acid
CID 68738006
4-[(4-methoxycarbonylphenyl)methylamino]butanoic acid
CID 60782858
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
4-[[4-(trifluoromethoxy)phenyl]methylamino]butanoic acid
CID 43473381
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
4-[[2-(4-phenylcyclohexyl)acetyl]amino]butanoic acid
CID 119170948
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]butanoic acid?
The IUPAC name of 4-[(4-cyclopropylphenyl)methylamino]butanoic acid (CID 79979436) is 4-[(4-cyclopropylphenyl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-cyclopropylphenyl)methylamino]butanoic acid?
The canonical SMILES for 4-[(4-cyclopropylphenyl)methylamino]butanoic acid is O=C(O)CCCNCc1ccc(C2CC2)cc1.
What is the InChIKey of 4-[(4-cyclopropylphenyl)methylamino]butanoic acid?
The InChIKey is SHLLVCUAWZLZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(17)2-1-9-15-10-11-3-5-12(6-4-11)13-7-8-13/h3-6,13,15H,1-2,7-10H2,(H,16,17).
What are the key properties of 4-[(4-cyclopropylphenyl)methylamino]butanoic acid?
4-[(4-cyclopropylphenyl)methylamino]butanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylphenyl)methylamino]butanoic acid is sourced from PubChem (CID 79979436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).