propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate

C12H21NO3 — CID 91692141

IUPACpropyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-3-8-16-11(14)9-13(2)12(15)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyITYUXPFUTILAEO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.59
Rot. Bonds5

About propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate

propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate (PubChem CID 91692141) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
PubChem CID91692141
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namepropyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C1CCCC1
InChIInChI=1S/C12H21NO3/c1-3-8-16-11(14)9-13(2)12(15)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyITYUXPFUTILAEO-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

octyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692144
heptyl 2-[cyclopropanecarbonyl(methyl)amino]acetate
CID 91704966
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
CID 79601174
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
propyl 2-[[2-[ethoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
CID 91709608
N-(3-aminopropyl)-N-methylcyclooctanecarboxamide
CID 65019001
propyl 3-cyclopentylpropanoate
CID 43389546
propyl 2-cyclopentylprop-2-enoate
CID 174733277
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350

Frequently Asked Questions

What is the IUPAC name of propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The IUPAC name of propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate (CID 91692141) is propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate.
What is the SMILES notation for propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The canonical SMILES for propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate is CCCOC(=O)CN(C)C(=O)C1CCCC1.
What is the InChIKey of propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
The InChIKey is ITYUXPFUTILAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-8-16-11(14)9-13(2)12(15)10-6-4-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate?
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).