(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid

C6H14N2O2 — CID 175262598

IUPAC(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
SMILESC[C@@H](CN)C(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5?/m0/s1
InChIKeyYPEXLZVHIICQKL-ROLXFIACSA-N
MW146.19 g/mol
LogP-0.76
Rot. Bonds4

About (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid

(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid (PubChem CID 175262598) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
PubChem CID175262598
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
SMILESC[C@@H](CN)C(CN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5?/m0/s1
InChIKeyYPEXLZVHIICQKL-ROLXFIACSA-N
XLogP-0.76
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(aminomethyl)butanoic acid
CID 87574083
2-(aminomethyl)-3-ethyl-4-methylhexanoic acid
CID 87760258
4-amino-2-fluoro-3-methylbutanoic acid
CID 138987586
2-(aminomethyl)-4-ethyl-3-methylhexanoic acid
CID 87761013
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
3-amino-2-propan-2-ylsulfanylpropanoic acid
CID 64695846
(2S,3S)-2-(aminomethyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
CID 86654985
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3,3-dimethylbutanoic acid
CID 65229351
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 65227476
5-amino-2-propan-2-ylpentanoic acid
CID 104681083

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The IUPAC name of (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid (CID 175262598) is (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid.
What is the SMILES notation for (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The canonical SMILES for (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid is C[C@@H](CN)C(CN)C(=O)O.
What is the InChIKey of (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid?
The InChIKey is YPEXLZVHIICQKL-ROLXFIACSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4(2-7)5(3-8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5?/m0/s1.
What are the key properties of (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid?
(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid is sourced from PubChem (CID 175262598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).