2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide

C7H14N2O2 — CID 87665798

IUPAC2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(N)CO
InChIInChI=1S/C7H14N2O2/c1-5(2)3-9-7(11)6(8)4-10/h6,10H,1,3-4,8H2,2H3,(H,9,11)
InChIKeyMEZKOMIWKLEFOK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.00
Rot. Bonds4

About 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide

2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide (PubChem CID 87665798) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide
PubChem CID87665798
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CNC(=O)C(N)CO
InChIInChI=1S/C7H14N2O2/c1-5(2)3-9-7(11)6(8)4-10/h6,10H,1,3-4,8H2,2H3,(H,9,11)
InChIKeyMEZKOMIWKLEFOK-UHFFFAOYSA-N
XLogP-1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide (CID 87665798) is 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide is C=C(C)CNC(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is MEZKOMIWKLEFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(2)3-9-7(11)6(8)4-10/h6,10H,1,3-4,8H2,2H3,(H,9,11).
What are the key properties of 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide?
2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 158.20 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 87665798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).