(2S)-2-amino-4-methylhex-4-enoic acid

C7H13NO2 — CID 70268414

IUPAC(2S)-2-amino-4-methylhex-4-enoic acid
SMILESCC=C(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyZJAGBNLNDKYYNL-LURJTMIESA-N
MW143.19 g/mol
LogP0.75
Rot. Bonds3

About (2S)-2-amino-4-methylhex-4-enoic acid

(2S)-2-amino-4-methylhex-4-enoic acid (PubChem CID 70268414) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2S)-2-amino-4-methylhex-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-methylhex-4-enoic acid
PubChem CID70268414
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2S)-2-amino-4-methylhex-4-enoic acid
SMILESCC=C(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyZJAGBNLNDKYYNL-LURJTMIESA-N
XLogP0.75
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylhex-4-enoic acid;(1S,2S)-2-amino-1-phenylpropane-1,3-diol
CID 70268415
(4Z)-2-amino-4-ethylidenepentanedioic acid
CID 57449464
2-amino-4-ethylidenepentanedioic acid
CID 73192539
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
CID 163683229
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
(4E,6Z)-2-amino-4-methylnona-4,6,8-trienoic acid;bromomethane
CID 142823781
acetyl chloride;2-aminobutanedioic acid
CID 174930999
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
2-amino-4-ethylidenehept-5-enoic acid
CID 123282783
acetaldehyde;(2R)-2-amino-4-methylpentanoic acid
CID 155104074
(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid
CID 131128678
2-aminobutanedioic acid;molybdenum
CID 76550864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylhex-4-enoic acid?
The IUPAC name of (2S)-2-amino-4-methylhex-4-enoic acid (CID 70268414) is (2S)-2-amino-4-methylhex-4-enoic acid.
What is the SMILES notation for (2S)-2-amino-4-methylhex-4-enoic acid?
The canonical SMILES for (2S)-2-amino-4-methylhex-4-enoic acid is CC=C(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylhex-4-enoic acid?
The InChIKey is ZJAGBNLNDKYYNL-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5(2)4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylhex-4-enoic acid?
(2S)-2-amino-4-methylhex-4-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylhex-4-enoic acid is sourced from PubChem (CID 70268414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).