(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid

C9H19NO3 — CID 87326965

IUPAC(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCN[C@H](C(=O)O)C(C)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(13-9(2,3)4)7(10-5)8(11)12/h6-7,10H,1-5H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyKYXQLWFONOUGLB-MLWJPKLSSA-N
MW189.25 g/mol
LogP0.86
Rot. Bonds4

About (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid

(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 87326965) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID87326965
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCN[C@H](C(=O)O)C(C)OC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-6(13-9(2,3)4)7(10-5)8(11)12/h6-7,10H,1-5H3,(H,11,12)/t6?,7-/m0/s1
InChIKeyKYXQLWFONOUGLB-MLWJPKLSSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 15601072
(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 139208969
3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 146584539
3-methyl-2-(methylamino)butanoic acid
CID 4378
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
(2S,3R)-2-ethyl-3-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 143229027
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
methyl (2R)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 173345702
3,4-dimethyl-2-(methylamino)pentanoic acid
CID 15385160
(2R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid;sulfane
CID 160908692
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 87326965) is (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid is CN[C@H](C(=O)O)C(C)OC(C)(C)C.
What is the InChIKey of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is KYXQLWFONOUGLB-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6(13-9(2,3)4)7(10-5)8(11)12/h6-7,10H,1-5H3,(H,11,12)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid?
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 87326965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).