(2S)-2-amino-3-methyl(113C)butanoic acid

C5H11NO2 — CID 11051625

IUPAC(2S)-2-amino-3-methyl(113C)butanoic acid
SMILESCC(C)[C@H](N)[13C](=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
InChIKeyKZSNJWFQEVHDMF-TXZHAAMZSA-N
MW118.14 g/mol
LogP0.05
Rot. Bonds2

About (2S)-2-amino-3-methyl(113C)butanoic acid

(2S)-2-amino-3-methyl(113C)butanoic acid (PubChem CID 11051625) has the molecular formula C5H11NO2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl(113C)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl(113C)butanoic acid
PubChem CID11051625
Molecular FormulaC5H11NO2
Molecular Weight118.14 g/mol
Exact Mass118.08
IUPAC Name(2S)-2-amino-3-methyl(113C)butanoic acid
SMILESCC(C)[C@H](N)[13C](=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1
InChIKeyKZSNJWFQEVHDMF-TXZHAAMZSA-N
XLogP0.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Leucine
CID 6106
DL-selenomethionine
CID 15103
L-Isoleucine
CID 6306
L-Valine
CID 6287
Penicillamine
CID 5852
L-Selenomethionine
CID 105024
Alloisoleucine, DL-
CID 99288
D-Leucine
CID 439524
(-)-2-Aminobutyric acid
CID 80283
2-Amino-3-methylpentanoic acid
CID 791
DL-valine
CID 1182
(+-)-Penicillamine
CID 4727

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl(113C)butanoic acid?
The IUPAC name of (2S)-2-amino-3-methyl(113C)butanoic acid (CID 11051625) is (2S)-2-amino-3-methyl(113C)butanoic acid.
What is the SMILES notation for (2S)-2-amino-3-methyl(113C)butanoic acid?
The canonical SMILES for (2S)-2-amino-3-methyl(113C)butanoic acid is CC(C)[C@H](N)[13C](=O)O.
What is the InChIKey of (2S)-2-amino-3-methyl(113C)butanoic acid?
The InChIKey is KZSNJWFQEVHDMF-TXZHAAMZSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i5+1.
What are the key properties of (2S)-2-amino-3-methyl(113C)butanoic acid?
(2S)-2-amino-3-methyl(113C)butanoic acid has a molecular weight of 118.14 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl(113C)butanoic acid is sourced from PubChem (CID 11051625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).