2-(ethylamino)propanamide;2-methylprop-2-enoic acid

C9H18N2O3 — CID 174432315

IUPAC2-(ethylamino)propanamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNC(C)C(N)=O
InChIInChI=1S/C5H12N2O.C4H6O2/c1-3-7-4(2)5(6)8;1-3(2)4(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1H2,2H3,(H,5,6)
InChIKeyJKFUZDITJQAKDG-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.12
Rot. Bonds4

About 2-(ethylamino)propanamide;2-methylprop-2-enoic acid

2-(ethylamino)propanamide;2-methylprop-2-enoic acid (PubChem CID 174432315) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(ethylamino)propanamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(ethylamino)propanamide;2-methylprop-2-enoic acid
PubChem CID174432315
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(ethylamino)propanamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNC(C)C(N)=O
InChIInChI=1S/C5H12N2O.C4H6O2/c1-3-7-4(2)5(6)8;1-3(2)4(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1H2,2H3,(H,5,6)
InChIKeyJKFUZDITJQAKDG-UHFFFAOYSA-N
XLogP0.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.12
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

2-(3-methylbut-3-enylamino)propanamide
CID 114472047
2-aminopropanamide;2-methylprop-2-enoic acid;hydrochloride
CID 175162079
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
ethane;3-(ethylamino)butan-2-one
CID 145148121
CID 173413432
CID 173413432
2-(dimethylamino)propanamide;2-methylprop-2-enoic acid
CID 175460965
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(2-aminoethylamino)propanamide
CID 20551229

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)propanamide;2-methylprop-2-enoic acid?
The IUPAC name of 2-(ethylamino)propanamide;2-methylprop-2-enoic acid (CID 174432315) is 2-(ethylamino)propanamide;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(ethylamino)propanamide;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(ethylamino)propanamide;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCNC(C)C(N)=O.
What is the InChIKey of 2-(ethylamino)propanamide;2-methylprop-2-enoic acid?
The InChIKey is JKFUZDITJQAKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C4H6O2/c1-3-7-4(2)5(6)8;1-3(2)4(5)6/h4,7H,3H2,1-2H3,(H2,6,8);1H2,2H3,(H,5,6).
What are the key properties of 2-(ethylamino)propanamide;2-methylprop-2-enoic acid?
2-(ethylamino)propanamide;2-methylprop-2-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)propanamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 174432315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).