2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide

C5H10N2O2 — CID 89205138

IUPAC2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide
SMILESC=C(N)C(=O)N[C@H](C)O
InChIInChI=1S/C5H10N2O2/c1-3(6)5(9)7-4(2)8/h4,8H,1,6H2,2H3,(H,7,9)/t4-/m0/s1
InChIKeyKGHGPTHRDLNJIM-BYPYZUCNSA-N
MW130.15 g/mol
LogP-1.09
Rot. Bonds2

About 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide

2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide (PubChem CID 89205138) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide
PubChem CID89205138
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide
SMILESC=C(N)C(=O)N[C@H](C)O
InChIInChI=1S/C5H10N2O2/c1-3(6)5(9)7-4(2)8/h4,8H,1,6H2,2H3,(H,7,9)/t4-/m0/s1
InChIKeyKGHGPTHRDLNJIM-BYPYZUCNSA-N
XLogP-1.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide?
The IUPAC name of 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide (CID 89205138) is 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide?
The canonical SMILES for 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide is C=C(N)C(=O)N[C@H](C)O.
What is the InChIKey of 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide?
The InChIKey is KGHGPTHRDLNJIM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-3(6)5(9)7-4(2)8/h4,8H,1,6H2,2H3,(H,7,9)/t4-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide?
2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide has a molecular weight of 130.15 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-hydroxyethyl]prop-2-enamide is sourced from PubChem (CID 89205138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).