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

C15H20N2O4 — CID 64815752

IUPAC2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-10-4-2-5-11(8-10)16-15(20)17-13-7-3-6-12(13)14(18)19/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAPEGTTGUZIYWEU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.21
Rot. Bonds5

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

2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815752) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815752
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(NC(=O)NC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-10-4-2-5-11(8-10)16-15(20)17-13-7-3-6-12(13)14(18)19/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAPEGTTGUZIYWEU-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 ≤ 500292.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 96536759
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815927
(2S)-2-[[3-(methoxymethyl)phenyl]carbamoylamino]propanoic acid
CID 54964892

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 64815752) is 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is COCc1cccc(NC(=O)NC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is APEGTTGUZIYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-10-4-2-5-11(8-10)16-15(20)17-13-7-3-6-12(13)14(18)19/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 292.34 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 2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).