pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

C15H26N2O5 — CID 6422718

IUPACpentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCC
InChIInChI=1S/C15H26N2O5/c1-5-7-8-10-21-14(19)12-16(3)13(18)11-17(4)15(20)22-9-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyIEGNPTSQXVIUPX-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.43
Rot. Bonds10

About pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate

pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (PubChem CID 6422718) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namepentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
PubChem CID6422718
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Namepentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate
SMILESC=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCC
InChIInChI=1S/C15H26N2O5/c1-5-7-8-10-21-14(19)12-16(3)13(18)11-17(4)15(20)22-9-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyIEGNPTSQXVIUPX-UHFFFAOYSA-N
XLogP1.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91713124
Glycine, N-methyl-N-allyloxycarbonyl-, isohexyl ester
CID 91713125
Glycine, N-methyl-N-allyloxycarbonyl-, hexyl ester
CID 91713126
Glycine, N-methyl-N-allyloxycarbonyl-, heptyl ester
CID 91713127
Alanine, N-methyl-N-allyloxycarbonyl-, pentyl ester
CID 91717704
Sarcosylsarcosine, N-allyloxycarbonyl-, ethyl ester
CID 6422701
Sarcosylsarcosine, N-allyloxycarbonyl-, butyl ester
CID 6422702
Sarcosylsarcosine, N-allyloxycarbonyl-, heptyl ester
CID 6422703
Sarcosylsarcosine, N-allyloxycarbonyl-, allyl ester
CID 6422704
Sarcosylsarcosine, N-allyloxycarbonyl-, propyl ester
CID 6422717
Sarcosylsarcosine, N-allyloxycarbonyl-, isohexyl ester
CID 6422719
Sarcosylsarcosine, N-allyloxycarbonyl-, hexyl ester
CID 6422720

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The IUPAC name of pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate (CID 6422718) is pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate.
What is the SMILES notation for pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The canonical SMILES for pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is C=CCOC(=O)N(C)CC(=O)N(C)CC(=O)OCCCCC.
What is the InChIKey of pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
The InChIKey is IEGNPTSQXVIUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-5-7-8-10-21-14(19)12-16(3)13(18)11-17(4)15(20)22-9-6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate?
pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate has a molecular weight of 314.38 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[methyl-[2-[methyl(prop-2-enoxycarbonyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 6422718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).