7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid

C10H13N3O2 — CID 112716012

IUPAC7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid
SMILESNC1(C(=O)O)c2[nH]ncc2CCC12CC2
InChIInChI=1S/C10H13N3O2/c11-10(8(14)15)7-6(5-12-13-7)1-2-9(10)3-4-9/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyRVSMHDKSFFYFKG-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.37
Rot. Bonds1

About 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid

7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid (PubChem CID 112716012) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid.

Molecular Properties

Compound Name7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid
PubChem CID112716012
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid
SMILESNC1(C(=O)O)c2[nH]ncc2CCC12CC2
InChIInChI=1S/C10H13N3O2/c11-10(8(14)15)7-6(5-12-13-7)1-2-9(10)3-4-9/h5H,1-4,11H2,(H,12,13)(H,14,15)
InChIKeyRVSMHDKSFFYFKG-UHFFFAOYSA-N
XLogP0.37
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 68504449
4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 71695302
4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid hydrochloride
CID 132353812
3-Ethenyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-2-carboxylic acid
CID 69472156
Spiro[8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-3,1'-cyclopentane]-2-carboxylic acid
CID 69475372
6-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 141722726
Spiro[1,4,5,6-tetrahydroindazole-7,1'-cyclopropane]-6-carboxylic acid
CID 82402806
Spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
CID 82402824
6,6-Dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
CID 83862101
2-(6,6-Dimethyl-1,4,5,7-tetrahydroindazol-4-yl)acetic acid
CID 83862103
7-Amino-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 83906473
4-Amino-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906475

Frequently Asked Questions

What is the IUPAC name of 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid?
The IUPAC name of 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid (CID 112716012) is 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid.
What is the SMILES notation for 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid?
The canonical SMILES for 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid is NC1(C(=O)O)c2[nH]ncc2CCC12CC2.
What is the InChIKey of 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid?
The InChIKey is RVSMHDKSFFYFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-10(8(14)15)7-6(5-12-13-7)1-2-9(10)3-4-9/h5H,1-4,11H2,(H,12,13)(H,14,15).
What are the key properties of 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid?
7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminospiro[4,5-dihydro-1H-indazole-6,1'-cyclopropane]-7-carboxylic acid is sourced from PubChem (CID 112716012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).