(2S)-2-amino-4,4-dimethylpentanoate

C7H14NO2- — CID 149433644

IUPAC(2S)-2-amino-4,4-dimethylpentanoate
SMILESCC(C)(C)C[C@H](N)C(=O)[O-]
InChIInChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/p-1/t5-/m0/s1
InChIKeyLPBSHGLDBQBSPI-YFKPBYRVSA-M
MW144.19 g/mol
LogP-0.50
Rot. Bonds2

About (2S)-2-amino-4,4-dimethylpentanoate

(2S)-2-amino-4,4-dimethylpentanoate (PubChem CID 149433644) has the molecular formula C7H14NO2- and a molecular weight of 144.19 g/mol. Its IUPAC name is (2S)-2-amino-4,4-dimethylpentanoate.

Molecular Properties

Compound Name(2S)-2-amino-4,4-dimethylpentanoate
PubChem CID149433644
Molecular FormulaC7H14NO2-
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(2S)-2-amino-4,4-dimethylpentanoate
SMILESCC(C)(C)C[C@H](N)C(=O)[O-]
InChIInChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/p-1/t5-/m0/s1
InChIKeyLPBSHGLDBQBSPI-YFKPBYRVSA-M
XLogP-0.50
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-amino-4-hydroxy-4-methylpentanoate
CID 75481657
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
2-amino-4-methylpentanoate
CID 157437742
2-aminobutanedioate
CID 4519554
sodium 2-amino-3-hydroxypropanoate
CID 23676048
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
CID 141087880
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
(2S)-2-amino-5,5,5-trifluoropentanoate
CID 152782221
copper;(2S,4R)-2-amino-4-hydroxypentanoate;(2R,4S)-2-amino-4-hydroxypentanoate
CID 139053843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4,4-dimethylpentanoate?
The IUPAC name of (2S)-2-amino-4,4-dimethylpentanoate (CID 149433644) is (2S)-2-amino-4,4-dimethylpentanoate.
What is the SMILES notation for (2S)-2-amino-4,4-dimethylpentanoate?
The canonical SMILES for (2S)-2-amino-4,4-dimethylpentanoate is CC(C)(C)C[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-4,4-dimethylpentanoate?
The InChIKey is LPBSHGLDBQBSPI-YFKPBYRVSA-M. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4,4-dimethylpentanoate?
(2S)-2-amino-4,4-dimethylpentanoate has a molecular weight of 144.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4,4-dimethylpentanoate is sourced from PubChem (CID 149433644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).