4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid

C14H17NO4 — CID 107208664

IUPAC4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC2(C)C)ccc1C(=O)O
InChIInChI=1S/C14H17NO4/c1-14(2)7-10(14)12(16)15-8-4-5-9(13(17)18)11(6-8)19-3/h4-6,10H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKTPQVRBMDHGHBV-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.38
Rot. Bonds4

About 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid

4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid (PubChem CID 107208664) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
PubChem CID107208664
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC2(C)C)ccc1C(=O)O
InChIInChI=1S/C14H17NO4/c1-14(2)7-10(14)12(16)15-8-4-5-9(13(17)18)11(6-8)19-3/h4-6,10H,7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKTPQVRBMDHGHBV-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
CID 166304892
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-methoxy-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 107209601
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid (CID 107208664) is 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)C2CC2(C)C)ccc1C(=O)O.
What is the InChIKey of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is KTPQVRBMDHGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2)7-10(14)12(16)15-8-4-5-9(13(17)18)11(6-8)19-3/h4-6,10H,7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid?
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 107208664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).