4-[methyl(prop-2-enoyl)amino]butanoic acid

C8H13NO3 — CID 43151837

IUPAC4-[methyl(prop-2-enoyl)amino]butanoic acid
SMILESC=CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H13NO3/c1-3-7(10)9(2)6-4-5-8(11)12/h3H,1,4-6H2,2H3,(H,11,12)
InChIKeyJNCVDRXHWIFZLS-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.50
Rot. Bonds5

About 4-[methyl(prop-2-enoyl)amino]butanoic acid

4-[methyl(prop-2-enoyl)amino]butanoic acid (PubChem CID 43151837) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-[methyl(prop-2-enoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(prop-2-enoyl)amino]butanoic acid
PubChem CID43151837
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-[methyl(prop-2-enoyl)amino]butanoic acid
SMILESC=CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C8H13NO3/c1-3-7(10)9(2)6-4-5-8(11)12/h3H,1,4-6H2,2H3,(H,11,12)
InChIKeyJNCVDRXHWIFZLS-UHFFFAOYSA-N
XLogP0.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
4-[[(E)-but-2-enoyl]-methylamino]butanoic acid
CID 43151833
4-[[(E)-4,4-dimethylpent-2-enoyl]-methylamino]butanoic acid
CID 115729886
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
CID 58422062
CID 58422062
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696
4-[[(E)-3-cyclopropylprop-2-enoyl]-methylamino]butanoic acid
CID 115729898
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
triethyl-[3-[methyl(prop-2-enoyl)amino]propyl]azanium
CID 141091344
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
4-[carbamohydrazonoyl(methyl)amino]butanoic acid
CID 57260967

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(prop-2-enoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(prop-2-enoyl)amino]butanoic acid (CID 43151837) is 4-[methyl(prop-2-enoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(prop-2-enoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(prop-2-enoyl)amino]butanoic acid is C=CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(prop-2-enoyl)amino]butanoic acid?
The InChIKey is JNCVDRXHWIFZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-7(10)9(2)6-4-5-8(11)12/h3H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 4-[methyl(prop-2-enoyl)amino]butanoic acid?
4-[methyl(prop-2-enoyl)amino]butanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(prop-2-enoyl)amino]butanoic acid is sourced from PubChem (CID 43151837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).