3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

C14H22N2O5 — CID 66032207

IUPAC3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)9-4-6-16(7-5-9)14(20)15-11-3-2-10(8-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWUSOXCGAZMAYGP-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.83
Rot. Bonds3

About 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032207) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032207
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1
InChIInChI=1S/C14H22N2O5/c1-21-13(19)9-4-6-16(7-5-9)14(20)15-11-3-2-10(8-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18)
InChIKeyWUSOXCGAZMAYGP-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-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
1-[[(1S,3R)-3-ethoxycarbonylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122013092
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
3-[(2-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535092
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
cis-(1R,3S)-3-[(4-ethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114173620
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66032207) is 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is COC(=O)C1CCN(C(=O)NC2CCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WUSOXCGAZMAYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-13(19)9-4-6-16(7-5-9)14(20)15-11-3-2-10(8-11)12(17)18/h9-11H,2-8H2,1H3,(H,15,20)(H,17,18).
What are the key properties of 3-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(4-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-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).