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

C12H21N3O4 — CID 80708618

IUPACmethyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
SMILESCNC(=O)NC(=O)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)7-15(8-11(17)19-2)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyUTQQPEYRXYPZLJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.14
Rot. Bonds5

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

methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate (PubChem CID 80708618) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
PubChem CID80708618
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Namemethyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate
SMILESCNC(=O)NC(=O)CN(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)7-15(8-11(17)19-2)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,16,18)
InChIKeyUTQQPEYRXYPZLJ-UHFFFAOYSA-N
XLogP-0.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
2-[cyclopentyl-[2-(methoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 60834931
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
N-(tert-butylcarbamoyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 34619301
methyl 2-[acetyl(cyclopentyl)amino]acetate
CID 80709615
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate (CID 80708618) is methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate is CNC(=O)NC(=O)CN(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate?
The InChIKey is UTQQPEYRXYPZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-12(18)14-10(16)7-15(8-11(17)19-2)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,13,14,16,18).
What are the key properties of methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate?
methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate has a molecular weight of 271.32 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 80708618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).