(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid

C7H15NO3 — CID 45086732

IUPAC(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)C(O)[C@](C)(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(2)5(9)7(3,8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)/t5?,7-/m0/s1
InChIKeyTZVNDZVJZXCGMU-MSZQBOFLSA-N
MW161.20 g/mol
LogP-0.19
Rot. Bonds3

About (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid

(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid (PubChem CID 45086732) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
PubChem CID45086732
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
SMILESCC(C)C(O)[C@](C)(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(2)5(9)7(3,8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)/t5?,7-/m0/s1
InChIKeyTZVNDZVJZXCGMU-MSZQBOFLSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-amino-4-hydroxy-3,5-dimethylhexan-2-one
CID 158269541
(2S)-2-amino-3-tert-butyl-2-methylbutanedioic acid
CID 54112864
2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
CID 175971387
(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid
CID 141141472
2,2-difluoro-3-hydroxy-4-methylpentanoic acid
CID 62398254
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
2,3-diamino-2-methylpentanoic acid
CID 174904940
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
CID 131860482
3-amino-3-methyl-2-propan-2-ylbutanoic acid
CID 45122188

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid (CID 45086732) is (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid is CC(C)C(O)[C@](C)(N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid?
The InChIKey is TZVNDZVJZXCGMU-MSZQBOFLSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(2)5(9)7(3,8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)/t5?,7-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid?
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid is sourced from PubChem (CID 45086732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).