1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C16H19N3O3 — CID 119168100

IUPAC1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1[nH]nc2ccccc12)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(17-16(15(21)22)8-4-1-5-9-16)10-13-11-6-2-3-7-12(11)18-19-13/h2-3,6-7H,1,4-5,8-10H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeySKYHHKWTZLPJOT-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.01
Rot. Bonds4

About 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119168100) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119168100
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1[nH]nc2ccccc12)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H19N3O3/c20-14(17-16(15(21)22)8-4-1-5-9-16)10-13-11-6-2-3-7-12(11)18-19-13/h2-3,6-7H,1,4-5,8-10H2,(H,17,20)(H,18,19)(H,21,22)
InChIKeySKYHHKWTZLPJOT-UHFFFAOYSA-N
XLogP2.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(2H-indazol-3-yl)acetamide
CID 154735944
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
2-(2H-indazol-3-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120574124
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
1-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 56811562

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119168100) is 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1[nH]nc2ccccc12)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SKYHHKWTZLPJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(17-16(15(21)22)8-4-1-5-9-16)10-13-11-6-2-3-7-12(11)18-19-13/h2-3,6-7H,1,4-5,8-10H2,(H,17,20)(H,18,19)(H,21,22).
What are the key properties of 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2H-indazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119168100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).