cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H18N2O3 — CID 106320098

IUPACcis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1C
InChIInChI=1S/C13H18N2O3/c1-8-3-6-11(15(8)2)12(16)14-10-5-4-9(7-10)13(17)18/h3,6,9-10H,4-5,7H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyHOBFFGFADZEBEY-ZJUUUORDSA-N
MW250.30 g/mol
LogP1.32
Rot. Bonds3

About cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320098) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320098
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namecis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1C
InChIInChI=1S/C13H18N2O3/c1-8-3-6-11(15(8)2)12(16)14-10-5-4-9(7-10)13(17)18/h3,6,9-10H,4-5,7H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyHOBFFGFADZEBEY-ZJUUUORDSA-N
XLogP1.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
CID 79110293
methyl 4-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617249
cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321385
N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
cis-(1R,3S)-3-[(2,6-difluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321294
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
cis-(1R,3S)-3-[(4-fluoro-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318365
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
CID 43594241
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106320098) is cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)n1C.
What is the InChIKey of cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is HOBFFGFADZEBEY-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-3-6-11(15(8)2)12(16)14-10-5-4-9(7-10)13(17)18/h3,6,9-10H,4-5,7H2,1-2H3,(H,14,16)(H,17,18)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).