methyl (2S)-3-hydroxy-2-(methylamino)propanoate

C5H11NO3 — CID 10964559

IUPACmethyl (2S)-3-hydroxy-2-(methylamino)propanoate
SMILESCN[C@@H](CO)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6-4(3-7)5(8)9-2/h4,6-7H,3H2,1-2H3/t4-/m0/s1
InChIKeyYTQRKMWPXMJMTP-BYPYZUCNSA-N
MW133.15 g/mol
LogP-1.26
Rot. Bonds3

About methyl (2S)-3-hydroxy-2-(methylamino)propanoate

methyl (2S)-3-hydroxy-2-(methylamino)propanoate (PubChem CID 10964559) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-(methylamino)propanoate
PubChem CID10964559
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl (2S)-3-hydroxy-2-(methylamino)propanoate
SMILESCN[C@@H](CO)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-6-4(3-7)5(8)9-2/h4,6-7H,3H2,1-2H3/t4-/m0/s1
InChIKeyYTQRKMWPXMJMTP-BYPYZUCNSA-N
XLogP-1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-3-hydroxy-2-(methylamino)propanoate 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

Acetylserine
CID 65249
(S)-methyl 2-amino-3-hydroxypropanoate
CID 2723731
Methylserine
CID 7009640
N-Acetyl-DL-serine
CID 352294
Methyl DL-serinate hydrochloride
CID 517373
O-Methylserine
CID 88250
N-Methyl-L-threonine
CID 7010355
DL-O-Methylserine
CID 97963
L-Serine, methyl ester, hydrochloride (1:1)
CID 2723730
L-N-Carboxymethylserine
CID 435401
Methyl DL-serinate
CID 416960
Ethyl serinate
CID 2724186

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-(methylamino)propanoate (CID 10964559) is methyl (2S)-3-hydroxy-2-(methylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-(methylamino)propanoate is CN[C@@H](CO)C(=O)OC.
What is the InChIKey of methyl (2S)-3-hydroxy-2-(methylamino)propanoate?
The InChIKey is YTQRKMWPXMJMTP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-4(3-7)5(8)9-2/h4,6-7H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-(methylamino)propanoate?
methyl (2S)-3-hydroxy-2-(methylamino)propanoate has a molecular weight of 133.15 g/mol, XLogP of -1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-(methylamino)propanoate is sourced from PubChem (CID 10964559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).