cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid

C21H23NO4 — CID 18666440

IUPACcis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)OCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(18-11-12-19(13-18)21(24)25)22(14-16-7-3-1-4-8-16)26-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,24,25)/t18-,19+/m0/s1
InChIKeyJJRNFBSQJMINMF-RBUKOAKNSA-N
MW353.42 g/mol
LogP3.65
Rot. Bonds7

About cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 18666440) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID18666440
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namecis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)OCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(18-11-12-19(13-18)21(24)25)22(14-16-7-3-1-4-8-16)26-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,24,25)/t18-,19+/m0/s1
InChIKeyJJRNFBSQJMINMF-RBUKOAKNSA-N
XLogP3.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-phenylmethoxyurea
CID 22444379
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
3-(dibenzylamino)cyclopentane-1-carboxylic acid
CID 67068353
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
4-hydroxy-3-phenylmethoxycyclohexane-1-carboxylic acid;4-methoxy-3-phenylmethoxycyclohexane-1-carboxylic acid
CID 91423827
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958
cis-(1S,3R)-3-[benzyl(2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 134069273

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid (CID 18666440) is cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)OCc2ccccc2)C1.
What is the InChIKey of cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JJRNFBSQJMINMF-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(18-11-12-19(13-18)21(24)25)22(14-16-7-3-1-4-8-16)26-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2,(H,24,25)/t18-,19+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[benzyl(phenylmethoxy)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 18666440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).