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

C15H20N2O4 — CID 66031036

IUPAC3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(NC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-10-3-2-4-12(7-10)16-15(20)17-13-6-5-11(8-13)14(18)19/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQDHNRGMGRLYSFD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.21
Rot. Bonds5

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

3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031036) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID66031036
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCc1cccc(NC(=O)NC2CCC(C(=O)O)C2)c1
InChIInChI=1S/C15H20N2O4/c1-21-9-10-3-2-4-12(7-10)16-15(20)17-13-6-5-11(8-13)14(18)19/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyQDHNRGMGRLYSFD-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

2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
4-[[3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079391
3-[[2-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031233
cis-(1S,2R)-2-[[3-(methoxymethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366056
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-[3-(aminomethyl)phenyl]-3-(3,4-dimethylcyclohexyl)urea
CID 64743523
cis-(1R,3S)-3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319304
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 66031036) is 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is COCc1cccc(NC(=O)NC2CCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QDHNRGMGRLYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-9-10-3-2-4-12(7-10)16-15(20)17-13-6-5-11(8-13)14(18)19/h2-4,7,11,13H,5-6,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
3-[[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 3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).