2-amino-3-benzyl-4-hydroxypent-4-enoic acid

C12H15NO3 — CID 143364483

IUPAC2-amino-3-benzyl-4-hydroxypent-4-enoic acid
SMILESC=C(O)C(Cc1ccccc1)C(N)C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(14)10(11(13)12(15)16)7-9-5-3-2-4-6-9/h2-6,10-11,14H,1,7,13H2,(H,15,16)
InChIKeyLKVOSFYMIWKTIP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.33
Rot. Bonds5

About 2-amino-3-benzyl-4-hydroxypent-4-enoic acid

2-amino-3-benzyl-4-hydroxypent-4-enoic acid (PubChem CID 143364483) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-3-benzyl-4-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name2-amino-3-benzyl-4-hydroxypent-4-enoic acid
PubChem CID143364483
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-3-benzyl-4-hydroxypent-4-enoic acid
SMILESC=C(O)C(Cc1ccccc1)C(N)C(=O)O
InChIInChI=1S/C12H15NO3/c1-8(14)10(11(13)12(15)16)7-9-5-3-2-4-6-9/h2-6,10-11,14H,1,7,13H2,(H,15,16)
InChIKeyLKVOSFYMIWKTIP-UHFFFAOYSA-N
XLogP1.33
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-amino-3-benzyl-4-hydroxypent-4-enoic 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

2,5-diamino-3-benzyl-4-oxo-6-sulfanylhexanoic acid
CID 174958001
(2S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 58900334
(2S,3S)-2-amino-3-(2-phenylethyl)butanedioic acid
CID 11218609
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-benzylbutanedioic acid;ethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
CID 89183775
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
3-chloro-2-methylidene-4-phenylbutanoic acid
CID 23372429
2-amino-3-(hydroxymethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 174396702

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-4-hydroxypent-4-enoic acid?
The IUPAC name of 2-amino-3-benzyl-4-hydroxypent-4-enoic acid (CID 143364483) is 2-amino-3-benzyl-4-hydroxypent-4-enoic acid.
What is the SMILES notation for 2-amino-3-benzyl-4-hydroxypent-4-enoic acid?
The canonical SMILES for 2-amino-3-benzyl-4-hydroxypent-4-enoic acid is C=C(O)C(Cc1ccccc1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-benzyl-4-hydroxypent-4-enoic acid?
The InChIKey is LKVOSFYMIWKTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)10(11(13)12(15)16)7-9-5-3-2-4-6-9/h2-6,10-11,14H,1,7,13H2,(H,15,16).
What are the key properties of 2-amino-3-benzyl-4-hydroxypent-4-enoic acid?
2-amino-3-benzyl-4-hydroxypent-4-enoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-4-hydroxypent-4-enoic acid is sourced from PubChem (CID 143364483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).