4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate

C16H30N2O5 — CID 91714231

IUPAC4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C16H30N2O5/c1-6-9-23-16(21)18(5)11-14(19)17(4)12-15(20)22-10-7-8-13(2)3/h13H,6-12H2,1-5H3
InChIKeyYQVFRHSPXXMXGK-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.90
Rot. Bonds10

About 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate

4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 91714231) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID91714231
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate
SMILESCCCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC(C)C
InChIInChI=1S/C16H30N2O5/c1-6-9-23-16(21)18(5)11-14(19)17(4)12-15(20)22-10-7-8-13(2)3/h13H,6-12H2,1-5H3
InChIKeyYQVFRHSPXXMXGK-UHFFFAOYSA-N
XLogP1.90
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sarcosylsarcosine, n-pentafluoropropionyl-, isohexyl ester
CID 91730557
Sarcosylsarcosine, N-isobutoxycarbonyl-, ethyl ester
CID 91692980
Sarcosylsarcosine, N-isobutoxycarbonyl-, propyl ester
CID 91692981
Sarcosylsarcosine, N-isobutoxycarbonyl-, butyl ester
CID 91693557
Glycine, N-methyl-N-methoxycarbonyl-, isohexyl ester
CID 91703029
Glycine, N-methyl-N-ethoxycarbonyl-, isohexyl ester
CID 91709593
Sarcosylsarcosine, N-ethoxycarbonyl-, propyl ester
CID 91709608
Sarcosylsarcosine, N-ethoxycarbonyl-, pentyl ester
CID 91709609
Sarcosylsarcosine, N-ethoxycarbonyl-, isohexyl ester
CID 91709610
Sarcosylsarcosine, N-ethoxycarbonyl-, hexyl ester
CID 91709611
Sarcosylsarcosine, N-ethoxycarbonyl-, heptyl ester
CID 91709612
Glycine, N-methyl-n-propoxycarbonyl-, isohexyl ester
CID 91714216

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate (CID 91714231) is 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is CCCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is YQVFRHSPXXMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-6-9-23-16(21)18(5)11-14(19)17(4)12-15(20)22-10-7-8-13(2)3/h13H,6-12H2,1-5H3.
What are the key properties of 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate?
4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 330.43 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-[methyl-[2-[methyl(propoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 91714231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).