(2S)-2-amino-4-methylpentanoate

C6H12NO2- — CID 5460901

IUPAC(2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-M
MW130.17 g/mol
LogP-0.89
Rot. Bonds3

About (2S)-2-amino-4-methylpentanoate

(2S)-2-amino-4-methylpentanoate (PubChem CID 5460901) has the molecular formula C6H12NO2- and a molecular weight of 130.17 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoate
PubChem CID5460901
Molecular FormulaC6H12NO2-
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-M
XLogP-0.89
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Leucine
CID 6106
L-Isoleucine
CID 6306
D-Leucine
CID 439524
Alloisoleucine, DL-
CID 99288
2-Amino-3-methylpentanoic acid
CID 791
Leucine zwitterion
CID 7045798
D-Isoleucine
CID 76551
(2S,3S)-2-ammonio-3-methylpentanoate
CID 7043901
Alloisoleucine, D-
CID 94206
DL-leucine
CID 857
2-Aminoisovaleric acid
CID 6971018
(+)-L-Leucine methyl ester
CID 65105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoate?
The IUPAC name of (2S)-2-amino-4-methylpentanoate (CID 5460901) is (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-4-methylpentanoate?
The InChIKey is ROHFNLRQFUQHCH-YFKPBYRVSA-M. The full InChI is InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylpentanoate?
(2S)-2-amino-4-methylpentanoate has a molecular weight of 130.17 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 5460901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).