1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid

C16H21NO4 — CID 115443395

IUPAC1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCCC1)c1cccc(O)c1
InChIInChI=1S/C16H21NO4/c18-13-7-5-6-12(10-13)14(19)17-11-16(15(20)21)8-3-1-2-4-9-16/h5-7,10,18H,1-4,8-9,11H2,(H,17,19)(H,20,21)
InChIKeyHNDIAEYHJIPFSC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.55
Rot. Bonds4

About 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115443395) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID115443395
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCCC1)c1cccc(O)c1
InChIInChI=1S/C16H21NO4/c18-13-7-5-6-12(10-13)14(19)17-11-16(15(20)21)8-3-1-2-4-9-16/h5-7,10,18H,1-4,8-9,11H2,(H,17,19)(H,20,21)
InChIKeyHNDIAEYHJIPFSC-UHFFFAOYSA-N
XLogP2.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(3-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362528
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545034
1-[[[3-(3-methoxypropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544460
1-[[(3,5-difluorobenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435644
1-[[[3-(difluoromethoxy)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369254

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid (CID 115443395) is 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCCC1)c1cccc(O)c1.
What is the InChIKey of 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is HNDIAEYHJIPFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-13-7-5-6-12(10-13)14(19)17-11-16(15(20)21)8-3-1-2-4-9-16/h5-7,10,18H,1-4,8-9,11H2,(H,17,19)(H,20,21).
What are the key properties of 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-hydroxybenzoyl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115443395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).