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

C14H20N2O3 — CID 106321385

IUPACcis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-2-7-16-8-3-4-12(16)13(17)15-11-6-5-10(9-11)14(18)19/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,15,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyNJYQYQVRIGQQHG-MNOVXSKESA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds5

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

cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106321385) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106321385
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namecis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCn1cccc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-2-7-16-8-3-4-12(16)13(17)15-11-6-5-10(9-11)14(18)19/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,15,17)(H,18,19)/t10-,11+/m1/s1
InChIKeyNJYQYQVRIGQQHG-MNOVXSKESA-N
XLogP1.88
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 81120632
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
N-(3-methylcyclopentyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 114546140

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 106321385) is cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is CCCn1cccc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NJYQYQVRIGQQHG-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-7-16-8-3-4-12(16)13(17)15-11-6-5-10(9-11)14(18)19/h3-4,8,10-11H,2,5-7,9H2,1H3,(H,15,17)(H,18,19)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.88, 5 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-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).