cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

C18H24NO3- — CID 6920837

IUPACcis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1
InChIInChI=1S/C18H25NO3/c1-11-6-7-12(2)14(10-11)19-15(20)13-8-9-18(5,16(21)22)17(13,3)4/h6-7,10,13H,8-9H2,1-5H3,(H,19,20)(H,21,22)/p-1/t13-,18-/m0/s1
InChIKeyGUZKZSJIGLZHCM-UGSOOPFHSA-M
MW302.39 g/mol
LogP2.43
Rot. Bonds3

About cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate (PubChem CID 6920837) has the molecular formula C18H24NO3- and a molecular weight of 302.39 g/mol. Its IUPAC name is cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
PubChem CID6920837
Molecular FormulaC18H24NO3-
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Namecis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCc1ccc(C)c(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1
InChIInChI=1S/C18H25NO3/c1-11-6-7-12(2)14(10-11)19-15(20)13-8-9-18(5,16(21)22)17(13,3)4/h6-7,10,13H,8-9H2,1-5H3,(H,19,20)(H,21,22)/p-1/t13-,18-/m0/s1
InChIKeyGUZKZSJIGLZHCM-UGSOOPFHSA-M
XLogP2.43
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6936048
trans-(1S,3R)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7315021
cis-(1S,3S)-3-[(3,4-dichlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7446495
trans-(1S,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6941969
3-(tert-butylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 4675095
cis-(1R,3R)-1,2,2-trimethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentane-1-carboxylate
CID 6920772
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
cis-(1S,3S)-3-(hydrazinecarbonyl)-2,2,3-trimethyl-N-(4-methylphenyl)cyclopentane-1-carboxamide
CID 877611
trans-(1S,3R)-3-(benzylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6561280
trans-(1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3051753

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate (CID 6920837) is cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate is Cc1ccc(C)c(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)c1.
What is the InChIKey of cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The InChIKey is GUZKZSJIGLZHCM-UGSOOPFHSA-M. The full InChI is InChI=1S/C18H25NO3/c1-11-6-7-12(2)14(10-11)19-15(20)13-8-9-18(5,16(21)22)17(13,3)4/h6-7,10,13H,8-9H2,1-5H3,(H,19,20)(H,21,22)/p-1/t13-,18-/m0/s1.
What are the key properties of cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 6920837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).