2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

C16H30N2O6 — CID 91723528

IUPAC2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCOCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC(C)C
InChIInChI=1S/C16H30N2O6/c1-11(2)10-24-15(20)13(4)17(5)14(19)12(3)18(6)16(21)23-9-8-22-7/h11-13H,8-10H2,1-7H3
InChIKeyVOUKWMINHVLGLA-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.14
Rot. Bonds9

About 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (PubChem CID 91723528) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
PubChem CID91723528
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCOCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC(C)C
InChIInChI=1S/C16H30N2O6/c1-11(2)10-24-15(20)13(4)17(5)14(19)12(3)18(6)16(21)23-9-8-22-7/h11-13H,8-10H2,1-7H3
InChIKeyVOUKWMINHVLGLA-UHFFFAOYSA-N
XLogP1.14
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718896
ethyl 2-[methyl-[2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91718895
2-methylpropyl 2-[2,2-dimethylpropoxycarbonyl(methyl)amino]propanoate
CID 91725907
pentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91718545
octadecyl 2-[methyl(2-methylpropoxycarbonyl)amino]propanoate
CID 91722858
butyl 2-[2-[2-chloroethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91724108
2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
pentyl 2-[2-[2-chloroethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91724112
4-methylpentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]propanoyl]amino]propanoate
CID 91717720
3-chloropropyl 2-[3-chloropropoxycarbonyl(methyl)amino]propanoate
CID 91727216
butyl 2-[methyl-[2-[methyl-[2-[methyl(prop-2-ynoxycarbonyl)amino]propanoyl]amino]propanoyl]amino]propanoate
CID 91724919
propyl 2-[methyl(4-methylpentoxycarbonyl)amino]propanoate
CID 91718694

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The IUPAC name of 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (CID 91723528) is 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The canonical SMILES for 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is COCCOC(=O)N(C)C(C)C(=O)N(C)C(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The InChIKey is VOUKWMINHVLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-11(2)10-24-15(20)13(4)17(5)14(19)12(3)18(6)16(21)23-9-8-22-7/h11-13H,8-10H2,1-7H3.
What are the key properties of 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate has a molecular weight of 346.42 g/mol, XLogP of 1.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is sourced from PubChem (CID 91723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).