cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid

C15H17N3O3 — CID 120678335

IUPACcis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c1-8-4-10-7-16-18-13(10)12(5-8)14(19)17-11-3-2-9(6-11)15(20)21/h4-5,7,9,11H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-,11+/m1/s1
InChIKeyAANRXULDLZTSTL-KOLCDFICSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds3

About cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678335) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678335
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namecis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2[nH]ncc2c1
InChIInChI=1S/C15H17N3O3/c1-8-4-10-7-16-18-13(10)12(5-8)14(19)17-11-3-2-9(6-11)15(20)21/h4-5,7,9,11H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-,11+/m1/s1
InChIKeyAANRXULDLZTSTL-KOLCDFICSA-N
XLogP1.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

5-methyl-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 122118408
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
5-methyl-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-indazole-7-carboxamide
CID 166364361
(3S)-1-(5-methyl-1H-indazole-7-carbonyl)piperidine-3-carboxylic acid
CID 119173997
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
CID 119227464
cis-(1R,3S)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677737
cis-(1S,3R)-3-[(4-methylpyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675402
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
5-methyl-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-indazole-7-carboxamide
CID 128990513
5-methyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1H-indazole-7-carboxamide
CID 127446371
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678335) is cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c2[nH]ncc2c1.
What is the InChIKey of cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is AANRXULDLZTSTL-KOLCDFICSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-4-10-7-16-18-13(10)12(5-8)14(19)17-11-3-2-9(6-11)15(20)21/h4-5,7,9,11H,2-3,6H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).