(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide

C6H10N2O3 — CID 54552922

IUPAC(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)N[C@@H](CO)C(N)=O
InChIInChI=1S/C6H10N2O3/c1-2-5(10)8-4(3-9)6(7)11/h2,4,9H,1,3H2,(H2,7,11)(H,8,10)/t4-/m0/s1
InChIKeyZLEADJUJOUVPLP-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.87
Rot. Bonds4

About (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide

(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide (PubChem CID 54552922) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide
PubChem CID54552922
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)N[C@@H](CO)C(N)=O
InChIInChI=1S/C6H10N2O3/c1-2-5(10)8-4(3-9)6(7)11/h2,4,9H,1,3H2,(H2,7,11)(H,8,10)/t4-/m0/s1
InChIKeyZLEADJUJOUVPLP-BYPYZUCNSA-N
XLogP-1.87
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanamide
CID 448665
N-Acryloyl-L-serine
CID 28173751
3-Hydroxy-2-(prop-2-enoylamino)propanoic acid
CID 10176248
2-[(2-Aminoacetyl)amino]-3-hydroxypropanamide
CID 21748713
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 53732455
3-Hydroxy-2-(prop-2-enoylamino)propanamide
CID 76102945
(2S,3R)-3-hydroxy-N-methyl-2-(prop-2-enoylamino)butanamide
CID 122467952
(2S)-2-amino-3-hydroxy-N-prop-2-enoylpropanamide
CID 139637364
(2S)-2-(3-deuterioprop-2-enoylamino)-3-hydroxypropanoic acid
CID 139812823
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-3-hydroxy-N-methylpropanamide
CID 147258650
(2S)-3-hydroxy-N-methyl-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanamide
CID 156867672
(2S)-3-hydroxy-2-[[2-[[2-(prop-2-enoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 156867870

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide (CID 54552922) is (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide is C=CC(=O)N[C@@H](CO)C(N)=O.
What is the InChIKey of (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide?
The InChIKey is ZLEADJUJOUVPLP-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-2-5(10)8-4(3-9)6(7)11/h2,4,9H,1,3H2,(H2,7,11)(H,8,10)/t4-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide?
(2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide has a molecular weight of 158.16 g/mol, XLogP of -1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 54552922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).