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

C14H24N2O3 — CID 80710059

IUPACmethyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)N(C)C1CC1)C1CCCC1
InChIInChI=1S/C14H24N2O3/c1-15(11-7-8-11)13(17)9-16(10-14(18)19-2)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyPNMGKNHOWUPFNK-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.02
Rot. Bonds6

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

methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate (PubChem CID 80710059) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
PubChem CID80710059
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)N(C)C1CC1)C1CCCC1
InChIInChI=1S/C14H24N2O3/c1-15(11-7-8-11)13(17)9-16(10-14(18)19-2)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKeyPNMGKNHOWUPFNK-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62011161
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
methyl 2-[[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]-cyclopentylamino]acetate
CID 80718028
2-[cyclobutyl(3-hydroxypropyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102848635
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
CID 80708618
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate (CID 80710059) is methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate is COC(=O)CN(CC(=O)N(C)C1CC1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate?
The InChIKey is PNMGKNHOWUPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(11-7-8-11)13(17)9-16(10-14(18)19-2)12-5-3-4-6-12/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate?
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 80710059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).