(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid

C6H13NO3 — CID 91314303

IUPAC(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@](N)(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4(2)6(7,10)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6+/m1/s1
InChIKeySLVYEZYFDHOARS-XINAWCOVSA-N
MW147.17 g/mol
LogP-0.24
Rot. Bonds3

About (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid

(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid (PubChem CID 91314303) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
PubChem CID91314303
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
SMILESCC[C@@H](C)[C@](N)(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-4(2)6(7,10)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6+/m1/s1
InChIKeySLVYEZYFDHOARS-XINAWCOVSA-N
XLogP-0.24
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547
2-amino-2-hydroxy-3-methylbutanoic acid
CID 5320350
2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
CID 139619790
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
3-amino-2,3-dimethylbutan-2-ol;2-ethyl-2-propan-2-ylpropanedioic acid
CID 88689806
(2S)-2-amino-2-ethyl-4-methylpentanoic acid
CID 45122151
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
3,3,4,5-tetramethylheptan-4-ol
CID 22899418

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid?
The IUPAC name of (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid (CID 91314303) is (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid?
The canonical SMILES for (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid is CC[C@@H](C)[C@](N)(O)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid?
The InChIKey is SLVYEZYFDHOARS-XINAWCOVSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4(2)6(7,10)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6+/m1/s1.
What are the key properties of (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid?
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 91314303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).