trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

C17H22NO4- — CID 6936048

IUPACtrans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2)11(9-10-17(16,3)15(20)21)14(19)18-12-7-5-6-8-13(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,19)(H,20,21)/p-1/t11-,17+/m1/s1
InChIKeyUHVXTHWPROQFCT-DIFFPNOSSA-M
MW304.37 g/mol
LogP1.83
Rot. Bonds4

About trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate (PubChem CID 6936048) has the molecular formula C17H22NO4- and a molecular weight of 304.37 g/mol. Its IUPAC name is trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
PubChem CID6936048
Molecular FormulaC17H22NO4-
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Nametrans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
SMILESCOc1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C
InChIInChI=1S/C17H23NO4/c1-16(2)11(9-10-17(16,3)15(20)21)14(19)18-12-7-5-6-8-13(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,19)(H,20,21)/p-1/t11-,17+/m1/s1
InChIKeyUHVXTHWPROQFCT-DIFFPNOSSA-M
XLogP1.83
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3R)-3-[(2,5-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6920837
2-[[(3S)-3-methoxycarbonyl-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid
CID 5287145
trans-(1S,3R)-3-[(2-hydroxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 764296
cis-(1S,3S)-3-[[2-[(4-bromophenyl)methylideneamino]phenyl]carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 2430958
trans-(1S,3R)-3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7315021
2-[[(3S)-3-carboxy-2,2,3-trimethylcyclopentanecarbonyl]amino]benzoic acid
CID 18552509
2-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]benzoic acid
CID 5070067
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
cis-(1S,3S)-3-[(3,4-dichlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 7446495
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
cis-(1R,3R)-1,2,2-trimethyl-1-N,3-N-diphenylcyclopentane-1,3-dicarboxamide
CID 28765338

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The IUPAC name of trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate (CID 6936048) is trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate is COc1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C.
What is the InChIKey of trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
The InChIKey is UHVXTHWPROQFCT-DIFFPNOSSA-M. The full InChI is InChI=1S/C17H23NO4/c1-16(2)11(9-10-17(16,3)15(20)21)14(19)18-12-7-5-6-8-13(12)22-4/h5-8,11H,9-10H2,1-4H3,(H,18,19)(H,20,21)/p-1/t11-,17+/m1/s1.
What are the key properties of trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate?
trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-3-[(2-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 6936048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).