2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid

C15H19NO5 — CID 167912283

IUPAC2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid
SMILESCOC[C@H]1C[C@@H]1NC(=O)c1cc(C(=O)O)c(OC)cc1C
InChIInChI=1S/C15H19NO5/c1-8-4-13(21-3)11(15(18)19)6-10(8)14(17)16-12-5-9(12)7-20-2/h4,6,9,12H,5,7H2,1-3H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1
InChIKeyTVJIYIWNHPQMEK-SKDRFNHKSA-N
MW293.32 g/mol
LogP1.47
Rot. Bonds6

About 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid

2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid (PubChem CID 167912283) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid
PubChem CID167912283
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid
SMILESCOC[C@H]1C[C@@H]1NC(=O)c1cc(C(=O)O)c(OC)cc1C
InChIInChI=1S/C15H19NO5/c1-8-4-13(21-3)11(15(18)19)6-10(8)14(17)16-12-5-9(12)7-20-2/h4,6,9,12H,5,7H2,1-3H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1
InChIKeyTVJIYIWNHPQMEK-SKDRFNHKSA-N
XLogP1.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-methoxy-N-(2-propylcyclopropyl)benzamide
CID 113246081
5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4H-thieno[3,2-b]pyrrole-3-carboxylic acid
CID 166295975
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
4-(bromomethyl)-5-methoxy-2-methylbenzoic acid
CID 91311963
4-bromo-N-[2-(bromomethyl)cyclohexyl]-2-methoxybenzamide
CID 106367431
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dimethoxy-2-methylbenzamide;hydrochloride
CID 119458491
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide
CID 162792864
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid?
The IUPAC name of 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid (CID 167912283) is 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid.
What is the SMILES notation for 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid?
The canonical SMILES for 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid is COC[C@H]1C[C@@H]1NC(=O)c1cc(C(=O)O)c(OC)cc1C.
What is the InChIKey of 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid?
The InChIKey is TVJIYIWNHPQMEK-SKDRFNHKSA-N. The full InChI is InChI=1S/C15H19NO5/c1-8-4-13(21-3)11(15(18)19)6-10(8)14(17)16-12-5-9(12)7-20-2/h4,6,9,12H,5,7H2,1-3H3,(H,16,17)(H,18,19)/t9-,12+/m1/s1.
What are the key properties of 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid?
2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(1S,2S)-2-(methoxymethyl)cyclopropyl]carbamoyl]-4-methylbenzoic acid is sourced from PubChem (CID 167912283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).