(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid

C7H15NO3 — CID 6398425

IUPAC(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCN[C@H](C(=O)O)[C@@H](O)C(C)C
InChIInChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyZITVNNJPDQSVTI-WDSKDSINSA-N
MW161.20 g/mol
LogP-0.32
Rot. Bonds4

About (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid

(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid (PubChem CID 6398425) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
PubChem CID6398425
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCN[C@H](C(=O)O)[C@@H](O)C(C)C
InChIInChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyZITVNNJPDQSVTI-WDSKDSINSA-N
XLogP-0.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-L-threonine
CID 7010355
Beta-Hydroxyleucine
CID 6994741
N-Methylleucine, D-
CID 6951123
N-Methylleucine
CID 2777993
N-Methyl-dl-leucine
CID 567743
3-Hydroxyleucine
CID 277776
Npc168081
CID 6994743
Leucine, 3-hydroxy-
CID 134611
(2S,3S,4S)-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11008555
(2S,3R)-3-hydroxy-2-(methylamino)pentanoic acid
CID 55286555
(2R,3S)-2-amino-3-hydroxy-4-methylpentanoic acid
CID 2724869
(2S,3R)-2-azaniumyl-3-hydroxy-4-methylpentanoate
CID 6994742

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid (CID 6398425) is (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid is CN[C@H](C(=O)O)[C@@H](O)C(C)C.
What is the InChIKey of (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The InChIKey is ZITVNNJPDQSVTI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
(2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-4-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 6398425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).