ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate

C12H22N2O3 — CID 43445728

IUPACethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)8-13-12(16)14-10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyTVVPXXCBJOYRAU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate

ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate (PubChem CID 43445728) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
PubChem CID43445728
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-11(15)8-13-12(16)14-10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16)
InChIKeyTVVPXXCBJOYRAU-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
CID 64743741
2-[(3-methylcyclohexyl)carbamoylamino]acetic acid
CID 43445727
ethyl 2-[(1-methylpiperidin-3-yl)carbamoylamino]acetate
CID 61223451
1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 131076439
(3-methylcyclohexyl)carbamic acid
CID 67410451
ethyl 3-(cyclohexylcarbamoylamino)propanoate
CID 61173677
ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
CID 64916038
2-methyl-2-[(3-methylcyclohexyl)carbamoylamino]butanoic acid
CID 79801730
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
CID 55061328
2-[[(3-methylcyclohexyl)carbamoylamino]methyl]pentanoic acid
CID 65223457
1-[(3-hydroxythiolan-3-yl)methyl]-3-(3-methylcyclohexyl)urea
CID 111618578
(3-methylcycloheptyl)carbamic acid
CID 143291001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate (CID 43445728) is ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1CCCC(C)C1.
What is the InChIKey of ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate?
The InChIKey is TVVPXXCBJOYRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-11(15)8-13-12(16)14-10-6-4-5-9(2)7-10/h9-10H,3-8H2,1-2H3,(H2,13,14,16).
What are the key properties of ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate?
ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate is sourced from PubChem (CID 43445728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).