1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C16H19N5O3 — CID 120544922

IUPAC1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H19N5O3/c22-14(17-10-16(15(23)24)8-4-1-5-9-16)12-6-2-3-7-13(12)21-11-18-19-20-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,22)(H,23,24)
InChIKeyRFSWCVPGBLSLDA-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.43
Rot. Bonds5

About 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544922) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544922
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCCCC1)c1ccccc1-n1cnnn1
InChIInChI=1S/C16H19N5O3/c22-14(17-10-16(15(23)24)8-4-1-5-9-16)12-6-2-3-7-13(12)21-11-18-19-20-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,22)(H,23,24)
InChIKeyRFSWCVPGBLSLDA-UHFFFAOYSA-N
XLogP1.43
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 111445767
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55356927
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544806
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
1-[[(2-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432966
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
1-[[[2-(trifluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543771
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544922) is 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCCCC1)c1ccccc1-n1cnnn1.
What is the InChIKey of 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RFSWCVPGBLSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14(17-10-16(15(23)24)8-4-1-5-9-16)12-6-2-3-7-13(12)21-11-18-19-20-21/h2-3,6-7,11H,1,4-5,8-10H2,(H,17,22)(H,23,24).
What are the key properties of 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(tetrazol-1-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).