(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide

C6H10N2O3 — CID 139637364

IUPAC(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide
SMILESC=CC(=O)NC(=O)[C@@H](N)CO
InChIInChI=1S/C6H10N2O3/c1-2-5(10)8-6(11)4(7)3-9/h2,4,9H,1,3,7H2,(H,8,10,11)/t4-/m0/s1
InChIKeyQWGODWDDXMNKLK-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.87
Rot. Bonds3

About (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide

(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide (PubChem CID 139637364) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide
PubChem CID139637364
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide
SMILESC=CC(=O)NC(=O)[C@@H](N)CO
InChIInChI=1S/C6H10N2O3/c1-2-5(10)8-6(11)4(7)3-9/h2,4,9H,1,3,7H2,(H,8,10,11)/t4-/m0/s1
InChIKeyQWGODWDDXMNKLK-BYPYZUCNSA-N
XLogP-1.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide (CID 139637364) is (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide is C=CC(=O)NC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide?
The InChIKey is QWGODWDDXMNKLK-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-5(10)8-6(11)4(7)3-9/h2,4,9H,1,3,7H2,(H,8,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide?
(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide has a molecular weight of 158.16 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide is sourced from PubChem (CID 139637364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).