2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid

C13H20N2O4 — CID 152515110

IUPAC2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NCCCCC(NC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-4-11(16)14-8-6-5-7-10(13(18)19)15-12(17)9(2)3/h4,10H,1-2,5-8H2,3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYGIFTAJJBKTRAL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.60
Rot. Bonds9

About 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid

2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid (PubChem CID 152515110) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid
PubChem CID152515110
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid
SMILESC=CC(=O)NCCCCC(NC(=O)C(=C)C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-4-11(16)14-8-6-5-7-10(13(18)19)15-12(17)9(2)3/h4,10H,1-2,5-8H2,3H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyYGIFTAJJBKTRAL-UHFFFAOYSA-N
XLogP0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic 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

2,6-bis(prop-2-enoylamino)hexanoic acid
CID 156696069
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(prop-2-enoylamino)hexanoic acid
CID 86044187
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 87085942
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-(8-methylnonyl)prop-2-enamide;prop-2-enoic acid
CID 158939992
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
(2S)-2-[[2-[[(1S)-1-carboxy-5-(dodecanoylamino)pentyl]amino]-2-oxoacetyl]amino]-6-(dodecanoylamino)hexanoic acid
CID 101258757
butane;N-decyl-2-methylprop-2-enamide;N-decylprop-2-enamide;N-dodecyl-2-methylprop-2-enamide;N-dodecylprop-2-enamide;ethane;methane;2-methyl-N-nonylprop-2-enamide;2-methyl-N-octylprop-2-enamide;2-methyl-N-undecylprop-2-enamide;N-nonylprop-2-enamide;N-octylprop-2-enamide;propane;N-undecylprop-2-enamide
CID 159543173
6-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 87770315

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid?
The IUPAC name of 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid (CID 152515110) is 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid is C=CC(=O)NCCCCC(NC(=O)C(=C)C)C(=O)O.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid?
The InChIKey is YGIFTAJJBKTRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-11(16)14-8-6-5-7-10(13(18)19)15-12(17)9(2)3/h4,10H,1-2,5-8H2,3H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid?
2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)-6-(prop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 152515110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).