3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

C15H20N2O4 — CID 66031233

IUPAC3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1ccccc1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-21-9-11-4-2-3-5-13(11)17-15(20)16-12-7-6-10(8-12)14(18)19/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWTBVOGQNZDRWLK-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.21
Rot. Bonds5

About 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid

3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031233) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66031233
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1ccccc1NC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C15H20N2O4/c1-21-9-11-4-2-3-5-13(11)17-15(20)16-12-7-6-10(8-12)14(18)19/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWTBVOGQNZDRWLK-UHFFFAOYSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
cis-(1R,3S)-3-[[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 167791723
1-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-[2-(methoxymethyl)phenyl]urea
CID 98787728
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[(4-bromo-2-ethylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 81289601
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
cis-(1S,3R)-3-[[2-(2-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675040

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 66031233) is 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is COCc1ccccc1NC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is WTBVOGQNZDRWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-11-4-2-3-5-13(11)17-15(20)16-12-7-6-10(8-12)14(18)19/h2-5,10,12H,6-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).