trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid

C16H21N3O3 — CID 154871705

IUPACtrans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid
SMILESCn1ncc2c1CC(C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O)CC2
InChIInChI=1S/C16H21N3O3/c1-19-14-4-8(2-3-9(14)7-17-19)15(20)18-13-6-11(13)10-5-12(10)16(21)22/h7-8,10-13H,2-6H2,1H3,(H,18,20)(H,21,22)/t8?,10-,11+,12-,13+/m0/s1
InChIKeyUIFNBTHAHPNYNM-FKQHRNAXSA-N
MW303.36 g/mol
LogP0.75
Rot. Bonds4

About trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid (PubChem CID 154871705) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid
PubChem CID154871705
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nametrans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid
SMILESCn1ncc2c1CC(C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O)CC2
InChIInChI=1S/C16H21N3O3/c1-19-14-4-8(2-3-9(14)7-17-19)15(20)18-13-6-11(13)10-5-12(10)16(21)22/h7-8,10-13H,2-6H2,1H3,(H,18,20)(H,21,22)/t8?,10-,11+,12-,13+/m0/s1
InChIKeyUIFNBTHAHPNYNM-FKQHRNAXSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[(1S,2S)-2-(4,5,6,7-tetrahydro-1H-indazole-5-carbonylamino)cyclopropyl]cyclopropane-1-carboxylic acid
CID 154871702
1-methyl-N-[(3R,6R)-2-oxo-6-(trifluoromethyl)piperidin-3-yl]-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 166308624
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
(6R)-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141173
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
(1R,2R,4S,5S)-4-(thiane-4-carbonylamino)bicyclo[3.1.0]hexane-2-carboxylic acid
CID 154867366
(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141087
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)methanone
CID 136551235
tert-butyl 2-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)piperidine-1-carboxylate
CID 163358453
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
2-(1,5-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)acetic acid
CID 112715283

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid (CID 154871705) is trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid is Cn1ncc2c1CC(C(=O)N[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)O)CC2.
What is the InChIKey of trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid?
The InChIKey is UIFNBTHAHPNYNM-FKQHRNAXSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-19-14-4-8(2-3-9(14)7-17-19)15(20)18-13-6-11(13)10-5-12(10)16(21)22/h7-8,10-13H,2-6H2,1H3,(H,18,20)(H,21,22)/t8?,10-,11+,12-,13+/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(1R,2R)-2-[(1-methyl-4,5,6,7-tetrahydroindazole-6-carbonyl)amino]cyclopropyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154871705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).