3-(2-aminopent-4-enoylamino)butanoic acid;ethane

C11H22N2O3 — CID 142982550

IUPAC3-(2-aminopent-4-enoylamino)butanoic acid;ethane
SMILESC=CCC(N)C(=O)NC(C)CC(=O)O.CC
InChIInChI=1S/C9H16N2O3.C2H6/c1-3-4-7(10)9(14)11-6(2)5-8(12)13;1-2/h3,6-7H,1,4-5,10H2,2H3,(H,11,14)(H,12,13);1-2H3
InChIKeyOOYGAVBCROCGGW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.90
Rot. Bonds6

About 3-(2-aminopent-4-enoylamino)butanoic acid;ethane

3-(2-aminopent-4-enoylamino)butanoic acid;ethane (PubChem CID 142982550) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(2-aminopent-4-enoylamino)butanoic acid;ethane.

Molecular Properties

Compound Name3-(2-aminopent-4-enoylamino)butanoic acid;ethane
PubChem CID142982550
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(2-aminopent-4-enoylamino)butanoic acid;ethane
SMILESC=CCC(N)C(=O)NC(C)CC(=O)O.CC
InChIInChI=1S/C9H16N2O3.C2H6/c1-3-4-7(10)9(14)11-6(2)5-8(12)13;1-2/h3,6-7H,1,4-5,10H2,2H3,(H,11,14)(H,12,13);1-2H3
InChIKeyOOYGAVBCROCGGW-UHFFFAOYSA-N
XLogP0.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminopent-4-enoylamino)butanoic acid;ethane 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-Amino-3-[(2,2,2-trifluoroacetyl)amino]hex-5-enoic acid
CID 19957016
(2S)-2-amino-3-[(2,2,2-trifluoroacetyl)amino]hex-5-enoic acid
CID 141577810
3-(Pent-4-enoylamino)propanoic acid
CID 57874017
(3S)-3-(pent-4-enoylamino)butanoic acid
CID 58070894
(3S)-3-(2-acetamidopent-4-enoylamino)butanoic acid
CID 58637736
2-[2-(Propanoylamino)pent-4-enoylamino]butanedioic acid
CID 58637765
(3R)-3-(2-acetamidopent-4-enoylamino)pentanoic acid
CID 58637774
2-[2-(Methylamino)pent-4-enoylamino]acetic acid
CID 58637795
2-[2-(Methylamino)pent-4-enoylamino]butanedioic acid
CID 58637800
2-[2-(Propanoylamino)pent-4-enoylamino]acetic acid
CID 58637810
Methyl 3-(2-aminopent-4-enoylamino)propanoate
CID 58747518
3-(Pent-4-enoylamino)butanoic acid
CID 62683470

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopent-4-enoylamino)butanoic acid;ethane?
The IUPAC name of 3-(2-aminopent-4-enoylamino)butanoic acid;ethane (CID 142982550) is 3-(2-aminopent-4-enoylamino)butanoic acid;ethane.
What is the SMILES notation for 3-(2-aminopent-4-enoylamino)butanoic acid;ethane?
The canonical SMILES for 3-(2-aminopent-4-enoylamino)butanoic acid;ethane is C=CCC(N)C(=O)NC(C)CC(=O)O.CC.
What is the InChIKey of 3-(2-aminopent-4-enoylamino)butanoic acid;ethane?
The InChIKey is OOYGAVBCROCGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.C2H6/c1-3-4-7(10)9(14)11-6(2)5-8(12)13;1-2/h3,6-7H,1,4-5,10H2,2H3,(H,11,14)(H,12,13);1-2H3.
What are the key properties of 3-(2-aminopent-4-enoylamino)butanoic acid;ethane?
3-(2-aminopent-4-enoylamino)butanoic acid;ethane has a molecular weight of 230.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopent-4-enoylamino)butanoic acid;ethane is sourced from PubChem (CID 142982550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).