4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid

C10H15NO3 — CID 20525038

IUPAC4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid
SMILESC=CCN(CC=C)C(=O)CCC(=O)O
InChIInChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyNZUSIWMSTXWXDW-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.05
Rot. Bonds7

About 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid

4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid (PubChem CID 20525038) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid
PubChem CID20525038
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid
SMILESC=CCN(CC=C)C(=O)CCC(=O)O
InChIInChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyNZUSIWMSTXWXDW-UHFFFAOYSA-N
XLogP1.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-5-Oxopyrrolidine-3-Carboxylic Acid
CID 3152393
Stk003242
CID 5157666
(3S)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid
CID 7046175
4-(Diprop-2-enylamino)butanoic acid
CID 14855695
4-[Methyl(prop-2-enyl)amino]butanoic acid
CID 19426631
4-[Bis(prop-2-enyl)amino]-2-methylidene-4-oxobutanoic acid
CID 20449663
4-[Bis(prop-2-enyl)amino]-4-oxobutanoate
CID 20583722
4-[Bis(prop-2-enyl)amino]-3,4-dioxobutanoic acid
CID 20633701
3-[Bis(prop-2-enyl)carbamoyl]but-3-enoic acid
CID 21807172
4-[Methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
4-(2,5-Dihydro-pyrrol-1-yl)-4-oxo-butyric acid methyl ester
CID 57549173
Methyl 4-[bis(prop-2-enyl)amino]-4-oxobutanoate
CID 58350320

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid (CID 20525038) is 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid is C=CCN(CC=C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid?
The InChIKey is NZUSIWMSTXWXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-4H,1-2,5-8H2,(H,13,14).
What are the key properties of 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid?
4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 20525038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).