[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate

C7H15NO3 — CID 168824974

IUPAC[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
SMILESCC(C)[C@H](O)COC(=O)CN
InChIInChI=1S/C7H15NO3/c1-5(2)6(9)4-11-7(10)3-8/h5-6,9H,3-4,8H2,1-2H3/t6-/m1/s1
InChIKeySXYUKGMICBKSMX-ZCFIWIBFSA-N
MW161.20 g/mol
LogP-0.49
Rot. Bonds4

About [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate

[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate (PubChem CID 168824974) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
PubChem CID168824974
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
SMILESCC(C)[C@H](O)COC(=O)CN
InChIInChI=1S/C7H15NO3/c1-5(2)6(9)4-11-7(10)3-8/h5-6,9H,3-4,8H2,1-2H3/t6-/m1/s1
InChIKeySXYUKGMICBKSMX-ZCFIWIBFSA-N
XLogP-0.49
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate 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

[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate
CID 175926950
(2-hydroxy-4,4-dimethylhexyl) 2-aminoacetate
CID 163741981
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
ethyl 2-aminoacetate
CID 45039361
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
CID 91467511
[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] 3-hydroxybutanoate
CID 166926018
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-aminoacetate
CID 88980895
CID 172816698
CID 172816698
ethyl 2-aminoacetate;zirconium
CID 174594488

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate?
The IUPAC name of [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate (CID 168824974) is [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate.
What is the SMILES notation for [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate?
The canonical SMILES for [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate is CC(C)[C@H](O)COC(=O)CN.
What is the InChIKey of [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate?
The InChIKey is SXYUKGMICBKSMX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(2)6(9)4-11-7(10)3-8/h5-6,9H,3-4,8H2,1-2H3/t6-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate?
[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate has a molecular weight of 161.20 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate is sourced from PubChem (CID 168824974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).