2-methyl-2-(pent-4-enoylamino)propanoic acid

C9H15NO3 — CID 62680056

IUPAC2-methyl-2-(pent-4-enoylamino)propanoic acid
SMILESC=CCCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-6-7(11)10-9(2,3)8(12)13/h4H,1,5-6H2,2-3H3,(H,10,11)(H,12,13)
InChIKeyBILZEXHYAWNSBL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.93
Rot. Bonds5

About 2-methyl-2-(pent-4-enoylamino)propanoic acid

2-methyl-2-(pent-4-enoylamino)propanoic acid (PubChem CID 62680056) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methyl-2-(pent-4-enoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(pent-4-enoylamino)propanoic acid
PubChem CID62680056
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methyl-2-(pent-4-enoylamino)propanoic acid
SMILESC=CCCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-5-6-7(11)10-9(2,3)8(12)13/h4H,1,5-6H2,2-3H3,(H,10,11)(H,12,13)
InChIKeyBILZEXHYAWNSBL-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 115910220
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
N-tert-butylhex-5-enamide
CID 15640339
2-methylsulfonyl-2-(pent-4-enoylamino)butanoic acid
CID 174237302
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 103926333
N-formylpent-4-enamide
CID 138584202
2-(3-azidopropanoylamino)-2-methylpropanoic acid
CID 71480870
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
CID 82224505
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
3-(pent-4-enoylamino)butanoic acid
CID 62683470
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
2-(3-ethylpentanoylamino)-2-methylpropanoic acid
CID 120516010

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(pent-4-enoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(pent-4-enoylamino)propanoic acid (CID 62680056) is 2-methyl-2-(pent-4-enoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(pent-4-enoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(pent-4-enoylamino)propanoic acid is C=CCCC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(pent-4-enoylamino)propanoic acid?
The InChIKey is BILZEXHYAWNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-6-7(11)10-9(2,3)8(12)13/h4H,1,5-6H2,2-3H3,(H,10,11)(H,12,13).
What are the key properties of 2-methyl-2-(pent-4-enoylamino)propanoic acid?
2-methyl-2-(pent-4-enoylamino)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(pent-4-enoylamino)propanoic acid is sourced from PubChem (CID 62680056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).