cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate

C16H22N2O4 — CID 96536759

IUPACcis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)c1
InChIInChI=1S/C16H22N2O4/c1-3-22-12-7-4-6-11(10-12)17-16(20)18-14-9-5-8-13(14)15(19)21-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyWWGJFNKUHKIBJN-KGLIPLIRSA-N
MW306.36 g/mol
LogP2.55
Rot. Bonds5

About cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate

cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate (PubChem CID 96536759) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
PubChem CID96536759
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namecis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate
SMILESCCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)c1
InChIInChI=1S/C16H22N2O4/c1-3-22-12-7-4-6-11(10-12)17-16(20)18-14-9-5-8-13(14)15(19)21-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1
InChIKeyWWGJFNKUHKIBJN-KGLIPLIRSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
trans-(1R,2R)-2-[(3-ethoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 41228503
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
trans-methyl (1S,2S)-2-[[2-(ethoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylate
CID 96536767
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
1-(3-methoxyphenyl)-3-[(1R,2R)-2-(sulfanylmethoxymethyl)cyclohexyl]urea
CID 59041101
1-(3-cyclopentyloxyphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933001
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
methyl 2-[(2-chlorophenyl)carbamoylamino]cyclopentane-1-carboxylate
CID 71972988

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate (CID 96536759) is cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate is CCOc1cccc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)c1.
What is the InChIKey of cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate?
The InChIKey is WWGJFNKUHKIBJN-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-12-7-4-6-11(10-12)17-16(20)18-14-9-5-8-13(14)15(19)21-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H2,17,18,20)/t13-,14+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate?
cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-[(3-ethoxyphenyl)carbamoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 96536759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).