3-(ethylamino)propanamide;prop-2-enoic acid

C8H16N2O3 — CID 22182171

IUPAC3-(ethylamino)propanamide;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCCC(N)=O
InChIInChI=1S/C5H12N2O.C3H4O2/c1-2-7-4-3-5(6)8;1-2-3(4)5/h7H,2-4H2,1H3,(H2,6,8);2H,1H2,(H,4,5)
InChIKeyXNALYQPXIMYGEE-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.27
Rot. Bonds5

About 3-(ethylamino)propanamide;prop-2-enoic acid

3-(ethylamino)propanamide;prop-2-enoic acid (PubChem CID 22182171) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(ethylamino)propanamide;prop-2-enoic acid.

Molecular Properties

Compound Name3-(ethylamino)propanamide;prop-2-enoic acid
PubChem CID22182171
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-(ethylamino)propanamide;prop-2-enoic acid
SMILESC=CC(=O)O.CCNCCC(N)=O
InChIInChI=1S/C5H12N2O.C3H4O2/c1-2-7-4-3-5(6)8;1-2-3(4)5/h7H,2-4H2,1H3,(H2,6,8);2H,1H2,(H,4,5)
InChIKeyXNALYQPXIMYGEE-UHFFFAOYSA-N
XLogP-0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(ethylamino)propanamide
CID 156743022
ethanol;N-ethylethanamine;prop-2-enoic acid
CID 174573072
N-ethylbutan-1-amine;prop-2-enamide
CID 158418621
N-methylethanamine;prop-2-enoic acid
CID 87363958
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
N-pentylpentan-1-amine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 173494842
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
ethanol;prop-2-enoic acid
CID 159350313
N-(2-amino-2-oxoethoxy)-3-(ethylamino)propanamide
CID 112674083
3-(aminomethylamino)propanamide
CID 123274483
3-(ethylamino)propanoic acid;methane;propanoic acid
CID 174356435
3-(hept-6-enylamino)propanamide
CID 107006585

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)propanamide;prop-2-enoic acid?
The IUPAC name of 3-(ethylamino)propanamide;prop-2-enoic acid (CID 22182171) is 3-(ethylamino)propanamide;prop-2-enoic acid.
What is the SMILES notation for 3-(ethylamino)propanamide;prop-2-enoic acid?
The canonical SMILES for 3-(ethylamino)propanamide;prop-2-enoic acid is C=CC(=O)O.CCNCCC(N)=O.
What is the InChIKey of 3-(ethylamino)propanamide;prop-2-enoic acid?
The InChIKey is XNALYQPXIMYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C3H4O2/c1-2-7-4-3-5(6)8;1-2-3(4)5/h7H,2-4H2,1H3,(H2,6,8);2H,1H2,(H,4,5).
What are the key properties of 3-(ethylamino)propanamide;prop-2-enoic acid?
3-(ethylamino)propanamide;prop-2-enoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)propanamide;prop-2-enoic acid is sourced from PubChem (CID 22182171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).