3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H22N2O5 — CID 115535092

IUPAC3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-4-2-3-7-16(11)14(20)15-10-6-5-9(8-10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWULLURZJUQWJBL-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.98
Rot. Bonds3

About 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 115535092) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID115535092
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCCCN1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)11-4-2-3-7-16(11)14(20)15-10-6-5-9(8-10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWULLURZJUQWJBL-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
4-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 115535124
3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032207
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106743978
cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(cyclohexylcarbamoyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate
CID 161371351
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 115535092) is 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is COC(=O)C1CCCCN1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WULLURZJUQWJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)11-4-2-3-7-16(11)14(20)15-10-6-5-9(8-10)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115535092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).