(2R)-2-amino-2-ethenyl-4-methylpentanoic acid

C8H15NO2 — CID 10511127

IUPAC(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
SMILESC=C[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-8(9,7(10)11)5-6(2)3/h4,6H,1,5,9H2,2-3H3,(H,10,11)/t8-/m0/s1
InChIKeyJFHRQQDKNMFZHU-QMMMGPOBSA-N
MW157.21 g/mol
LogP1.00
Rot. Bonds4

About (2R)-2-amino-2-ethenyl-4-methylpentanoic acid

(2R)-2-amino-2-ethenyl-4-methylpentanoic acid (PubChem CID 10511127) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2R)-2-amino-2-ethenyl-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
PubChem CID10511127
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
SMILESC=C[C@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-4-8(9,7(10)11)5-6(2)3/h4,6H,1,5,9H2,2-3H3,(H,10,11)/t8-/m0/s1
InChIKeyJFHRQQDKNMFZHU-QMMMGPOBSA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.00
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-2-(sulfanylmethyl)but-3-enoic acid
CID 175037122
2-amino-4-methyl-2-oxaldehydoylpentanoic acid
CID 175537658
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-2-ethenylnon-8-enoic acid
CID 156562405
(2S)-2-amino-2-(deuteriomethyl)-4-methylpentanoic acid;hydrochloride
CID 172557407
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-ethenyl-2,4-dimethylpentan-1-amine
CID 102640269
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
2-ethoxycarbonyl-2-(2-methylpropyl)pent-4-enoic acid
CID 103973920
2-amino-2-ethenylpropanedioic acid
CID 55285950
2-amino-2-(2-methylpropyl)-3-oxo-4-sulfanylpentanoic acid
CID 22315342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-ethenyl-4-methylpentanoic acid?
The IUPAC name of (2R)-2-amino-2-ethenyl-4-methylpentanoic acid (CID 10511127) is (2R)-2-amino-2-ethenyl-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-amino-2-ethenyl-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-amino-2-ethenyl-4-methylpentanoic acid is C=C[C@](N)(CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-ethenyl-4-methylpentanoic acid?
The InChIKey is JFHRQQDKNMFZHU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-8(9,7(10)11)5-6(2)3/h4,6H,1,5,9H2,2-3H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-ethenyl-4-methylpentanoic acid?
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-ethenyl-4-methylpentanoic acid is sourced from PubChem (CID 10511127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).