ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate

C14H30N2O3 — CID 142989223

IUPACethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate
SMILESC.C=C(C)C(=O)NC(CCCCN)C(=O)OC.CC
InChIInChI=1S/C11H20N2O3.C2H6.CH4/c1-8(2)10(14)13-9(11(15)16-3)6-4-5-7-12;1-2;/h9H,1,4-7,12H2,2-3H3,(H,13,14);1-2H3;1H4
InChIKeyAEZKMUVYVPBMGV-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.01
Rot. Bonds7

About ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate

ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate (PubChem CID 142989223) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate.

Molecular Properties

Compound Nameethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate
PubChem CID142989223
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nameethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate
SMILESC.C=C(C)C(=O)NC(CCCCN)C(=O)OC.CC
InChIInChI=1S/C11H20N2O3.C2H6.CH4/c1-8(2)10(14)13-9(11(15)16-3)6-4-5-7-12;1-2;/h9H,1,4-7,12H2,2-3H3,(H,13,14);1-2H3;1H4
InChIKeyAEZKMUVYVPBMGV-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.01
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate?
The IUPAC name of ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate (CID 142989223) is ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate.
What is the SMILES notation for ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate?
The canonical SMILES for ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate is C.C=C(C)C(=O)NC(CCCCN)C(=O)OC.CC.
What is the InChIKey of ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate?
The InChIKey is AEZKMUVYVPBMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.C2H6.CH4/c1-8(2)10(14)13-9(11(15)16-3)6-4-5-7-12;1-2;/h9H,1,4-7,12H2,2-3H3,(H,13,14);1-2H3;1H4.
What are the key properties of ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate?
ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate has a molecular weight of 274.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methyl 6-amino-2-(2-methylprop-2-enoylamino)hexanoate is sourced from PubChem (CID 142989223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).