2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid

C17H22N2O3 — CID 93065765

IUPAC2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
SMILESC[C@@H]1CCCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)C1
InChIInChI=1S/C17H22N2O3/c1-11-3-2-8-19(10-11)13-6-7-15(14(9-13)17(21)22)18-16(20)12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyQQSASNISBVESMJ-LLVKDONJSA-N
MW302.37 g/mol
LogP2.97
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid

2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid (PubChem CID 93065765) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
PubChem CID93065765
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
SMILESC[C@@H]1CCCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)C1
InChIInChI=1S/C17H22N2O3/c1-11-3-2-8-19(10-11)13-6-7-15(14(9-13)17(21)22)18-16(20)12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyQQSASNISBVESMJ-LLVKDONJSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutanoylamino)-5-[(3S)-3-methylpiperidin-1-yl]benzoic acid
CID 95054173
2-[(4-fluorobenzoyl)amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 95054138
2-(cyclopropanecarbonylamino)-5-(4-ethylpiperazin-1-yl)benzoic acid
CID 50782275
2-[(4-methoxybenzoyl)amino]-5-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146058003
2-chloro-4-(3-methylpiperidin-1-yl)benzoic acid
CID 62945909
2-[[(2S)-2-(4-chlorophenoxy)-3-cyclopropylpropanoyl]amino]-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 178109736
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
5-(4-benzhydrylpiperazin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782148
2-(cyclobutanecarbonylamino)-5-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid
CID 50782127
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004
5-(4-piperidin-1-ylpiperidin-1-yl)-2-(propanoylamino)benzoic acid
CID 50782827

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid (CID 93065765) is 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid is C[C@@H]1CCCN(c2ccc(NC(=O)C3CC3)c(C(=O)O)c2)C1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The InChIKey is QQSASNISBVESMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-3-2-8-19(10-11)13-6-7-15(14(9-13)17(21)22)18-16(20)12-4-5-12/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,20)(H,21,22)/t11-/m1/s1.
What are the key properties of 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid is sourced from PubChem (CID 93065765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).