(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid

C6H11NO4 — CID 174267692

IUPAC(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](CC1OC1O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-7-3(5(8)9)2-4-6(10)11-4/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3-,4?,6?/m0/s1
InChIKeyVZBAZKKYNMKZQT-ZNRXLLLOSA-N
MW161.16 g/mol
LogP-1.23
Rot. Bonds4

About (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid

(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid (PubChem CID 174267692) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid
PubChem CID174267692
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](CC1OC1O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-7-3(5(8)9)2-4-6(10)11-4/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3-,4?,6?/m0/s1
InChIKeyVZBAZKKYNMKZQT-ZNRXLLLOSA-N
XLogP-1.23
TPSA82.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-3-trimethylsilylpropanoic acid
CID 175259884
3-[(2S)-3-hydroxyoxiran-2-yl]-N-methyl-2-methylsulfanylpropanamide
CID 163457900
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
ethane;2-(methylamino)butanoic acid
CID 91558033
(3S)-3-(3-hydroxyoxiran-2-yl)-3-(methylamino)propanoic acid
CID 155198863
3-chloro-2-(methylamino)propanoic acid;hydrochloride
CID 88507294
(2R)-2-(methylamino)pentanoic acid
CID 15677248
(2R)-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 5288874
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
CID 104960300
N-methyl-2-(methylamino)-N'-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide
CID 70846186
ethene;2-(methylamino)butanedioic acid
CID 174781740
7-methyl-2-(methylamino)-N-[(2R,4S,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]octanamide
CID 158896539

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid (CID 174267692) is (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid is CN[C@@H](CC1OC1O)C(=O)O.
What is the InChIKey of (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid?
The InChIKey is VZBAZKKYNMKZQT-ZNRXLLLOSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7-3(5(8)9)2-4-6(10)11-4/h3-4,6-7,10H,2H2,1H3,(H,8,9)/t3-,4?,6?/m0/s1.
What are the key properties of (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid?
(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 174267692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).