3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H22N2O5 — CID 115535206

IUPAC3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-3-2-6-16(8-10)14(20)15-11-5-4-9(7-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWGVPBGHQTAIVAO-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.83
Rot. Bonds3

About 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 115535206) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID115535206
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)10-3-2-6-16(8-10)14(20)15-11-5-4-9(7-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWGVPBGHQTAIVAO-UHFFFAOYSA-N
XLogP0.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
1-[1-(cyclopentylcarbamoyl)piperidine-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118029
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
cis-(1R,3S)-3-[(3-propoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319520
cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 115535206) is 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is COC(=O)C1CCCN(C(=O)NC2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WGVPBGHQTAIVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)10-3-2-6-16(8-10)14(20)15-11-5-4-9(7-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115535206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).