trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O3 — CID 97318292

IUPACtrans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-8-2-3-10(7-14-8)12(16)15-11-5-4-9(6-11)13(17)18/h2-3,7,9,11H,4-6H2,1H3,(H,15,16)(H,17,18)/t9-,11-/m1/s1
InChIKeyJZOICXDVPSBVFI-MWLCHTKSSA-N
MW248.28 g/mol
LogP1.37
Rot. Bonds3

About trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97318292) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97318292
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nametrans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-8-2-3-10(7-14-8)12(16)15-11-5-4-9(6-11)13(17)18/h2-3,7,9,11H,4-6H2,1H3,(H,15,16)(H,17,18)/t9-,11-/m1/s1
InChIKeyJZOICXDVPSBVFI-MWLCHTKSSA-N
XLogP1.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-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

cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60809997
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1S,3R)-3-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675005
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
cis-(1R,3S)-3-[[4-(hydroxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 114173152
cis-(1S,3R)-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318338
6-amino-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540580
cis-(1R,3S)-3-[(4-methyl-3-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678433
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
CID 112729640
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 97318292) is trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)cn1.
What is the InChIKey of trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is JZOICXDVPSBVFI-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-2-3-10(7-14-8)12(16)15-11-5-4-9(6-11)13(17)18/h2-3,7,9,11H,4-6H2,1H3,(H,15,16)(H,17,18)/t9-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).