(2R)-2-amino-4-methylhex-5-enoic acid

C7H13NO2 — CID 143398016

IUPAC(2R)-2-amino-4-methylhex-5-enoic acid
SMILESC=CC(C)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyBCNHWZJWSRTHPW-PRJDIBJQSA-N
MW143.19 g/mol
LogP0.61
Rot. Bonds4

About (2R)-2-amino-4-methylhex-5-enoic acid

(2R)-2-amino-4-methylhex-5-enoic acid (PubChem CID 143398016) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2R)-2-amino-4-methylhex-5-enoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-methylhex-5-enoic acid
PubChem CID143398016
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2R)-2-amino-4-methylhex-5-enoic acid
SMILESC=CC(C)C[C@@H](N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5?,6-/m1/s1
InChIKeyBCNHWZJWSRTHPW-PRJDIBJQSA-N
XLogP0.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-4-methylhex-5-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

(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
2-amino-4-hydroxypentanoic acid
CID 14021586
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methylhex-5-enoic acid?
The IUPAC name of (2R)-2-amino-4-methylhex-5-enoic acid (CID 143398016) is (2R)-2-amino-4-methylhex-5-enoic acid.
What is the SMILES notation for (2R)-2-amino-4-methylhex-5-enoic acid?
The canonical SMILES for (2R)-2-amino-4-methylhex-5-enoic acid is C=CC(C)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-methylhex-5-enoic acid?
The InChIKey is BCNHWZJWSRTHPW-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,5-6H,1,4,8H2,2H3,(H,9,10)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-amino-4-methylhex-5-enoic acid?
(2R)-2-amino-4-methylhex-5-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methylhex-5-enoic acid is sourced from PubChem (CID 143398016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).