(2S)-2-amino-2-ethyl-3-methylbutanoic acid

C7H15NO2 — CID 54561958

IUPAC(2S)-2-amino-2-ethyl-3-methylbutanoic acid
SMILESCC[C@@](N)(C(=O)O)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-7(8,5(2)3)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyZREHYDMEQQDRGS-ZETCQYMHSA-N
MW145.20 g/mol
LogP0.83
Rot. Bonds3

About (2S)-2-amino-2-ethyl-3-methylbutanoic acid

(2S)-2-amino-2-ethyl-3-methylbutanoic acid (PubChem CID 54561958) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-amino-2-ethyl-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-ethyl-3-methylbutanoic acid
PubChem CID54561958
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-amino-2-ethyl-3-methylbutanoic acid
SMILESCC[C@@](N)(C(=O)O)C(C)C
InChIInChI=1S/C7H15NO2/c1-4-7(8,5(2)3)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1
InChIKeyZREHYDMEQQDRGS-ZETCQYMHSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(2-fluoroethyl)-3-methylbutanoic acid
CID 125427224
CID 88582451
CID 88582451
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
CID 88689806
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
2-amino-2-[(3-methyldiazirin-3-yl)-sulfanylmethyl]butanoic acid;hydrochloride
CID 154662201
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
3-amino-3,4-dimethylpentanoic acid
CID 53414110

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-ethyl-3-methylbutanoic acid?
The IUPAC name of (2S)-2-amino-2-ethyl-3-methylbutanoic acid (CID 54561958) is (2S)-2-amino-2-ethyl-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-2-ethyl-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-amino-2-ethyl-3-methylbutanoic acid is CC[C@@](N)(C(=O)O)C(C)C.
What is the InChIKey of (2S)-2-amino-2-ethyl-3-methylbutanoic acid?
The InChIKey is ZREHYDMEQQDRGS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-7(8,5(2)3)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-ethyl-3-methylbutanoic acid?
(2S)-2-amino-2-ethyl-3-methylbutanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-ethyl-3-methylbutanoic acid is sourced from PubChem (CID 54561958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).