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

C19H24N2O5 — CID 95390922

IUPACcis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CCC2)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1
InChIInChI=1S/C19H24N2O5/c1-19(2)14(15(19)18(24)25)17(23)21-13-9-11(26-3)7-8-12(13)20-16(22)10-5-4-6-10/h7-10,14-15H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t14-,15+/m1/s1
InChIKeyMOJLNDNFKCVSHA-CABCVRRESA-N
MW360.41 g/mol
LogP2.73
Rot. Bonds6

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

cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 95390922) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID95390922
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namecis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CCC2)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1
InChIInChI=1S/C19H24N2O5/c1-19(2)14(15(19)18(24)25)17(23)21-13-9-11(26-3)7-8-12(13)20-16(22)10-5-4-6-10/h7-10,14-15H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t14-,15+/m1/s1
InChIKeyMOJLNDNFKCVSHA-CABCVRRESA-N
XLogP2.73
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
3-[[4-(cyclobutanecarbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56763363
trans-(1R,3R)-3-[[5-(cyclopropanecarbonylamino)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391526
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
2-[2-[2-(cyclobutanecarbonylamino)-5-methoxyanilino]-2-oxoethyl]benzoic acid
CID 56762767
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
cis-(1R,3S)-3-[[3-(cyclohexanecarbonylamino)-4-fluorophenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065318
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
3-[(3,5-dimethoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835943
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 95390922) is cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COc1ccc(NC(=O)C2CCC2)c(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is MOJLNDNFKCVSHA-CABCVRRESA-N. The full InChI is InChI=1S/C19H24N2O5/c1-19(2)14(15(19)18(24)25)17(23)21-13-9-11(26-3)7-8-12(13)20-16(22)10-5-4-6-10/h7-10,14-15H,4-6H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 95390922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).