N-(3-amino-2-hydroxypropyl)prop-2-enamide

C6H12N2O2 — CID 130759182

IUPACN-(3-amino-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)CN
InChIInChI=1S/C6H12N2O2/c1-2-6(10)8-4-5(9)3-7/h2,5,9H,1,3-4,7H2,(H,8,10)
InChIKeyJJZQRTQZMUPHRP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.39
Rot. Bonds4

About N-(3-amino-2-hydroxypropyl)prop-2-enamide

N-(3-amino-2-hydroxypropyl)prop-2-enamide (PubChem CID 130759182) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)prop-2-enamide
PubChem CID130759182
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(3-amino-2-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)CN
InChIInChI=1S/C6H12N2O2/c1-2-6(10)8-4-5(9)3-7/h2,5,9H,1,3-4,7H2,(H,8,10)
InChIKeyJJZQRTQZMUPHRP-UHFFFAOYSA-N
XLogP-1.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-hydroxypropyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 88530636
N-(2-aminopropyl)prop-2-enamide
CID 19993421
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
N-[2-amino-2-(ethylamino)ethyl]prop-2-enamide
CID 138461440
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-(3-amino-2-hydroxypropyl)butanamide
CID 167081643
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[2,10-dihydroxy-6,6-bis[[2-hydroxy-3-(prop-2-enoylamino)propoxy]methyl]-11-(prop-2-enoylamino)undecyl]prop-2-enamide
CID 90321049
N-(3-amino-2-hydroxypropyl)-3-(2,6-difluorophenyl)prop-2-enamide
CID 136556034

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)prop-2-enamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)prop-2-enamide (CID 130759182) is N-(3-amino-2-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)prop-2-enamide is C=CC(=O)NCC(O)CN.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)prop-2-enamide?
The InChIKey is JJZQRTQZMUPHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-6(10)8-4-5(9)3-7/h2,5,9H,1,3-4,7H2,(H,8,10).
What are the key properties of N-(3-amino-2-hydroxypropyl)prop-2-enamide?
N-(3-amino-2-hydroxypropyl)prop-2-enamide has a molecular weight of 144.17 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 130759182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).