(2R,3R)-2-amino-3,4-dimethylpentanoic acid

C7H15NO2 — CID 87919550

IUPAC(2R,3R)-2-amino-3,4-dimethylpentanoic acid
SMILESCC(C)[C@@H](C)[C@@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyVFEDCKXLINRKLV-PHDIDXHHSA-N
MW145.20 g/mol
LogP0.69
Rot. Bonds3

About (2R,3R)-2-amino-3,4-dimethylpentanoic acid

(2R,3R)-2-amino-3,4-dimethylpentanoic acid (PubChem CID 87919550) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2R,3R)-2-amino-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3,4-dimethylpentanoic acid
PubChem CID87919550
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2R,3R)-2-amino-3,4-dimethylpentanoic acid
SMILESCC(C)[C@@H](C)[C@@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyVFEDCKXLINRKLV-PHDIDXHHSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2,5-diamino-3,4-dimethyl-5-oxopentanoic acid
CID 54362580
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3,4-dimethylpentanoic acid?
The IUPAC name of (2R,3R)-2-amino-3,4-dimethylpentanoic acid (CID 87919550) is (2R,3R)-2-amino-3,4-dimethylpentanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3,4-dimethylpentanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3,4-dimethylpentanoic acid is CC(C)[C@@H](C)[C@@H](N)C(=O)O.
What is the InChIKey of (2R,3R)-2-amino-3,4-dimethylpentanoic acid?
The InChIKey is VFEDCKXLINRKLV-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3,4-dimethylpentanoic acid?
(2R,3R)-2-amino-3,4-dimethylpentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3,4-dimethylpentanoic acid is sourced from PubChem (CID 87919550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).