4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid

C15H23NO3 — CID 115122682

IUPAC4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
SMILESCCCc1ccc(CNCC(O)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-2-3-12-4-6-13(7-5-12)10-16-11-14(17)8-9-15(18)19/h4-7,14,16-17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeySBYWNNMAXADGPD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.95
Rot. Bonds9

About 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid

4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid (PubChem CID 115122682) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
PubChem CID115122682
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
SMILESCCCc1ccc(CNCC(O)CCC(=O)O)cc1
InChIInChI=1S/C15H23NO3/c1-2-3-12-4-6-13(7-5-12)10-16-11-14(17)8-9-15(18)19/h4-7,14,16-17H,2-3,8-11H2,1H3,(H,18,19)
InChIKeySBYWNNMAXADGPD-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-bromophenyl)methylamino]-4-hydroxypentanoic acid
CID 115122675
2-[4-[(2-hydroxypentylamino)methyl]phenyl]acetic acid
CID 103268434
4-hydroxy-5-[2-(4-methoxyphenyl)ethylamino]pentanoic acid
CID 115122769
3-[4-(propylaminomethyl)phenyl]propanoic acid
CID 59131307
4-hydroxy-5-(2-pyridin-4-ylethylamino)pentanoic acid
CID 115122785
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
(2S)-2-[2-(4-propylphenyl)ethyl]pentanedioic acid
CID 70074227
methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
CID 115253125
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
5-[(2,5-dimethylphenyl)methylamino]-4-hydroxypentanoic acid
CID 115122672
2-[(4-butylphenyl)methylamino]acetic acid
CID 16658344
(2S)-1-(benzylamino)dodecan-2-ol
CID 98082078

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid?
The IUPAC name of 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid (CID 115122682) is 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid?
The canonical SMILES for 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid is CCCc1ccc(CNCC(O)CCC(=O)O)cc1.
What is the InChIKey of 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid?
The InChIKey is SBYWNNMAXADGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-12-4-6-13(7-5-12)10-16-11-14(17)8-9-15(18)19/h4-7,14,16-17H,2-3,8-11H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid?
4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid is sourced from PubChem (CID 115122682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).