methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate

C14H24N2O4 — CID 134339654

IUPACmethyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCC(=O)OC
InChIInChI=1S/C14H24N2O4/c1-5-11(17)16-14(2,3)13(19)15-10-8-6-7-9-12(18)20-4/h5H,1,6-10H2,2-4H3,(H,15,19)(H,16,17)
InChIKeyACEIFHZZEJWENV-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.92
Rot. Bonds9

About methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate

methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate (PubChem CID 134339654) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate
PubChem CID134339654
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate
SMILESC=CC(=O)NC(C)(C)C(=O)NCCCCCC(=O)OC
InChIInChI=1S/C14H24N2O4/c1-5-11(17)16-14(2,3)13(19)15-10-8-6-7-9-12(18)20-4/h5H,1,6-10H2,2-4H3,(H,15,19)(H,16,17)
InChIKeyACEIFHZZEJWENV-UHFFFAOYSA-N
XLogP0.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate with MolForge

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Related Compounds

(2S)-2-(methoxycarbonylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 71452150
6-(2-Acrylamido-2-methylpropyldimethylammonio)hexanoate
CID 89839294
Fluoro 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate
CID 134339657
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(prop-2-enoylamino)hexanoate
CID 11427011
6-[2-(Prop-2-enoylamino)hexanoylamino]hexanoic acid
CID 17935577
Methyl 6-(prop-2-enoylamino)hexanoate
CID 43623252
Methyl 6-[[2-[methyl(prop-2-enyl)amino]-2-oxoethyl]amino]hexanoate
CID 87623540
Methyl 6-[[2-(methylamino)-2-oxoethyl]-prop-2-enylamino]hexanoate
CID 87623543
Methyl(2S)-2-amino-6-(prop-2-enamido)hexanoate
CID 101728769
7-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]heptanoic acid
CID 134329081
6-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoic acid
CID 134329087
5-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 134329096

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate (CID 134339654) is methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate is C=CC(=O)NC(C)(C)C(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate?
The InChIKey is ACEIFHZZEJWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-5-11(17)16-14(2,3)13(19)15-10-8-6-7-9-12(18)20-4/h5H,1,6-10H2,2-4H3,(H,15,19)(H,16,17).
What are the key properties of methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate?
methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate has a molecular weight of 284.36 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]hexanoate is sourced from PubChem (CID 134339654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).