methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate

C12H22N2O3 — CID 80710178

IUPACmethyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
SMILESCCNC(=O)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-13-11(15)8-14(9-12(16)17-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyMJBLLVYSQSOAMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds6

About methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate

methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate (PubChem CID 80710178) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
PubChem CID80710178
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
SMILESCCNC(=O)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-13-11(15)8-14(9-12(16)17-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyMJBLLVYSQSOAMI-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
CID 79467932
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
N-ethyl-2-[ethyl-(4-oxocyclohexyl)amino]acetamide
CID 114762101
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 60834931
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate (CID 80710178) is methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate is CCNC(=O)CN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate?
The InChIKey is MJBLLVYSQSOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13-11(15)8-14(9-12(16)17-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate?
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 80710178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).