2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid

C10H15NO3 — CID 79256575

IUPAC2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCCC(=O)N(CC=C)CC(=O)O
InChIInChI=1S/C10H15NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyJYYDRSWQAVZHDT-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.05
Rot. Bonds7

About 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid

2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79256575) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid
PubChem CID79256575
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCCC(=O)N(CC=C)CC(=O)O
InChIInChI=1S/C10H15NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3-4H,1-2,5-8H2,(H,13,14)
InChIKeyJYYDRSWQAVZHDT-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

Glycine, N-(1-oxo-4-pentenyl)-
CID 45082235
2-[But-3-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258046
2-[Pent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260507
2-[Prop-2-enyl(4,4,4-trifluorobutanoyl)amino]acetic acid
CID 79263559
Vigabatrin Impurity 11
CID 162368368
2-[Carboxymethyl(hept-6-enoyl)amino]acetic acid
CID 18764841
2-[Carboxymethyl(hex-5-enoyl)amino]acetic acid
CID 18764843
2-(3-Ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 23068926
2-[[(Z)-hex-3-enoyl]-methylamino]acetic acid
CID 59067353
(2S)-2-[acetyl(methyl)amino]pent-4-enoic acid
CID 59423813
2-[Methyl(pent-4-enoyl)amino]propanoic acid
CID 62679874
2-[Pent-4-enoyl(propyl)amino]acetic acid
CID 62683988

Frequently Asked Questions

What is the IUPAC name of 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid (CID 79256575) is 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid is C=CCCC(=O)N(CC=C)CC(=O)O.
What is the InChIKey of 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is JYYDRSWQAVZHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-5-6-9(12)11(7-4-2)8-10(13)14/h3-4H,1-2,5-8H2,(H,13,14).
What are the key properties of 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid?
2-[pent-4-enoyl(prop-2-enyl)amino]acetic 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 2-[pent-4-enoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79256575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).