(2S)-2-amino-3-hydroxy-N-methylpropanamide

C4H10N2O2 — CID 12658401

IUPAC(2S)-2-amino-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CO
InChIInChI=1S/C4H10N2O2/c1-6-4(8)3(5)2-7/h3,7H,2,5H2,1H3,(H,6,8)/t3-/m0/s1
InChIKeyPJZBXYKLDPBGFD-VKHMYHEASA-N
MW118.14 g/mol
LogP-1.95
Rot. Bonds2

About (2S)-2-amino-3-hydroxy-N-methylpropanamide

(2S)-2-amino-3-hydroxy-N-methylpropanamide (PubChem CID 12658401) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-methylpropanamide
PubChem CID12658401
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name(2S)-2-amino-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CO
InChIInChI=1S/C4H10N2O2/c1-6-4(8)3(5)2-7/h3,7H,2,5H2,1H3,(H,6,8)/t3-/m0/s1
InChIKeyPJZBXYKLDPBGFD-VKHMYHEASA-N
XLogP-1.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-methylpropanamide (CID 12658401) is (2S)-2-amino-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-methylpropanamide is CNC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-methylpropanamide?
The InChIKey is PJZBXYKLDPBGFD-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10N2O2/c1-6-4(8)3(5)2-7/h3,7H,2,5H2,1H3,(H,6,8)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-methylpropanamide?
(2S)-2-amino-3-hydroxy-N-methylpropanamide has a molecular weight of 118.14 g/mol, XLogP of -1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 12658401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).