cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C20H26N2O5 — CID 95391926

IUPACcis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C20H26N2O5/c1-20(2)15(16(20)19(25)26)18(24)22-13-10-11(8-9-14(13)27-3)17(23)21-12-6-4-5-7-12/h8-10,12,15-16H,4-7H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16+/m0/s1
InChIKeyAWUJXOXSTGRUNI-JKSUJKDBSA-N
MW374.44 g/mol
LogP2.66
Rot. Bonds6

About cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 95391926) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID95391926
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namecis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(=O)NC2CCCC2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C20H26N2O5/c1-20(2)15(16(20)19(25)26)18(24)22-13-10-11(8-9-14(13)27-3)17(23)21-12-6-4-5-7-12/h8-10,12,15-16H,4-7H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16+/m0/s1
InChIKeyAWUJXOXSTGRUNI-JKSUJKDBSA-N
XLogP2.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

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Related Compounds

3-[[(1S,3R)-3-carboxy-2,2-dimethylcyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 95390850
3-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762402
trans-(1R,3R)-3-[[5-(cyclopropanecarbonylamino)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391526
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109056122
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 95391926) is cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COc1ccc(C(=O)NC2CCCC2)cc1NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is AWUJXOXSTGRUNI-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-20(2)15(16(20)19(25)26)18(24)22-13-10-11(8-9-14(13)27-3)17(23)21-12-6-4-5-7-12/h8-10,12,15-16H,4-7H2,1-3H3,(H,21,23)(H,22,24)(H,25,26)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 95391926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).