3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid

C16H23NO2 — CID 82351006

IUPAC3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(CC(CC(=O)O)NC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-12-4-6-13(7-5-12)10-15(11-16(18)19)17-14-8-9-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyKHPZKSUHZHPKAE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds8

About 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid

3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid (PubChem CID 82351006) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
PubChem CID82351006
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
SMILESCCCc1ccc(CC(CC(=O)O)NC2CC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-3-12-4-6-13(7-5-12)10-15(11-16(18)19)17-14-8-9-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeyKHPZKSUHZHPKAE-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-3-(cyclohexylamino)butanoic acid
CID 82350551
ethyl 3-(cyclopropylamino)-4-(4-propan-2-ylphenyl)butanoate
CID 82351745
methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349366
3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826
3-(diethylamino)-4-(4-propylphenyl)butanoic acid
CID 82352486
4-[[2-methyl-1-(4-propylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031119
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545
2-(cyclopropylamino)-3-(4-ethylphenyl)propanoic acid
CID 112514377
methyl 3-(cycloheptylamino)-4-phenylbutanoate
CID 82351188
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
N-(1-phenylhexan-3-yl)cyclopropanamine
CID 115704621

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid?
The IUPAC name of 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid (CID 82351006) is 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid is CCCc1ccc(CC(CC(=O)O)NC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid?
The InChIKey is KHPZKSUHZHPKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-12-4-6-13(7-5-12)10-15(11-16(18)19)17-14-8-9-14/h4-7,14-15,17H,2-3,8-11H2,1H3,(H,18,19).
What are the key properties of 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid?
3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid is sourced from PubChem (CID 82351006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).