2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid

C11H19NO3 — CID 115910220

IUPAC2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
SMILESC=CCCC(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-9(13)12-11(4,8(2)3)10(14)15/h5,8H,1,6-7H2,2-4H3,(H,12,13)(H,14,15)
InChIKeyZNYCTYABTAOZBI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.57
Rot. Bonds6

About 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid

2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid (PubChem CID 115910220) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
PubChem CID115910220
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
SMILESC=CCCC(=O)NC(C)(C(=O)O)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-7-9(13)12-11(4,8(2)3)10(14)15/h5,8H,1,6-7H2,2-4H3,(H,12,13)(H,14,15)
InChIKeyZNYCTYABTAOZBI-UHFFFAOYSA-N
XLogP1.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(pent-4-enoylamino)propanoic acid
CID 62680056
2,3-dimethyl-2-(4-methylsulfanylbutanoylamino)butanoic acid
CID 115910237
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
2-(pent-4-enoylamino)-2-phenylpropanoic acid
CID 62679681
(2R)-3,3-dimethyl-2-(pent-4-enoylamino)butanoic acid
CID 103926333
N-tert-butylhex-5-enamide
CID 15640339
3-(pent-4-enoylamino)butanoic acid
CID 62683470
2-methylsulfonyl-2-(pent-4-enoylamino)butanoic acid
CID 174237302
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
(2S,3R)-3-methyl-2-(pent-4-enoylamino)pentanoic acid
CID 94547326
2-formamido-2,3-dimethylbutanoic acid
CID 63688185

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid (CID 115910220) is 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid is C=CCCC(=O)NC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
The InChIKey is ZNYCTYABTAOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-7-9(13)12-11(4,8(2)3)10(14)15/h5,8H,1,6-7H2,2-4H3,(H,12,13)(H,14,15).
What are the key properties of 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid?
2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(pent-4-enoylamino)butanoic acid is sourced from PubChem (CID 115910220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).