trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid

C15H19N3O3 — CID 154871702

IUPACtrans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C15H19N3O3/c19-14(7-1-2-12-8(3-7)6-16-18-12)17-13-5-10(13)9-4-11(9)15(20)21/h6-7,9-11,13H,1-5H2,(H,16,18)(H,17,19)(H,20,21)/t7?,9-,10+,11-,13+/m1/s1
InChIKeyNOUXYMDZKUHUGY-XWFQLDHWSA-N
MW289.33 g/mol
LogP0.74
Rot. Bonds4

About trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid (PubChem CID 154871702) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
PubChem CID154871702
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Nametrans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)C1CCc2[nH]ncc2C1
InChIInChI=1S/C15H19N3O3/c19-14(7-1-2-12-8(3-7)6-16-18-12)17-13-5-10(13)9-4-11(9)15(20)21/h6-7,9-11,13H,1-5H2,(H,16,18)(H,17,19)(H,20,21)/t7?,9-,10+,11-,13+/m1/s1
InChIKeyNOUXYMDZKUHUGY-XWFQLDHWSA-N
XLogP0.74
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid
CID 154871705
N-[(1R,2S,3R,5S)-8-(3-cyanocyclobutanecarbonyl)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 166375252
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 86330706
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 127667649
N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxamide
CID 154859068
[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 154801022
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
[2-(4-hydroxyphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166185729
(1R,2R,4S,5S)-4-(thiane-4-carbonylamino)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 154867366
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid (CID 154871702) is trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid is O=C(N[C@H]1C[C@H]1[C@H]1C[C@H]1C(=O)O)C1CCc2[nH]ncc2C1.
What is the InChIKey of trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid?
The InChIKey is NOUXYMDZKUHUGY-XWFQLDHWSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(7-1-2-12-8(3-7)6-16-18-12)17-13-5-10(13)9-4-11(9)15(20)21/h6-7,9-11,13H,1-5H2,(H,16,18)(H,17,19)(H,20,21)/t7?,9-,10+,11-,13+/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).