methyl 2-(cyclopentylcarbamoylamino)acetate

C9H16N2O3 — CID 71707412

IUPACmethyl 2-(cyclopentylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC1CCCC1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)6-10-9(13)11-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyPISSNMVSFGUDGF-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds3

About methyl 2-(cyclopentylcarbamoylamino)acetate

methyl 2-(cyclopentylcarbamoylamino)acetate (PubChem CID 71707412) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-(cyclopentylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopentylcarbamoylamino)acetate
PubChem CID71707412
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-(cyclopentylcarbamoylamino)acetate
SMILESCOC(=O)CNC(=O)NC1CCCC1
InChIInChI=1S/C9H16N2O3/c1-14-8(12)6-10-9(13)11-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,10,11,13)
InChIKeyPISSNMVSFGUDGF-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoate
CID 12475046
Methyl 2-(3-cyclohexylureido)acetate
CID 11053022
Methyl 2-(3-isopropylureido)acetate
CID 43409327
Ethyl 2-(cyclohexylcarbamoylamino)acetate
CID 1756877
methyl (2S)-2-(cyclohexylcarbamoylamino)propanoate
CID 946581
1-(2-Oxooxolan-3-yl)-3-pentylurea
CID 177378558
Ethyl N'-isopropylureidoacetate
CID 541544
Methyl 2-[cyclopentyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 116013433
Methyl 2-(cyclohexylcarbamoylamino)propanoate
CID 4440798
methyl N-(cyclopentylcarbamoyl)-L-valinate
CID 946700
Methyl 2-(octylcarbamoylamino)propanoate
CID 3591719
Methyl 2-(butylcarbamoylamino)propanoate
CID 3933071

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(cyclopentylcarbamoylamino)acetate (CID 71707412) is methyl 2-(cyclopentylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(cyclopentylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(cyclopentylcarbamoylamino)acetate is COC(=O)CNC(=O)NC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentylcarbamoylamino)acetate?
The InChIKey is PISSNMVSFGUDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-8(12)6-10-9(13)11-7-4-2-3-5-7/h7H,2-6H2,1H3,(H2,10,11,13).
What are the key properties of methyl 2-(cyclopentylcarbamoylamino)acetate?
methyl 2-(cyclopentylcarbamoylamino)acetate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentylcarbamoylamino)acetate is sourced from PubChem (CID 71707412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).