1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid

C13H22N2O4 — CID 122016519

IUPAC1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15-7-5-9(6-8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1
InChIKeyFJTYFOYKULXCOE-GHMZBOCLSA-N
MW270.33 g/mol
LogP1.06
Rot. Bonds3

About 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122016519) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122016519
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15-7-5-9(6-8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1
InChIKeyFJTYFOYKULXCOE-GHMZBOCLSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016523
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
3-hydroxy-N-(2-methoxycyclohexyl)piperidine-1-carboxamide
CID 111508397
(3R)-3-[(1S)-1-hydroxyethyl]-N-[(1S,2R)-2-methoxycycloheptyl]pyrrolidine-1-carboxamide
CID 124845632
4-imidazol-1-yl-N-[(1R,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999534
4-imidazol-1-yl-N-[(1S,2S)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 96999533
1-[[(1R,2S)-2-phenylcyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122012024
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822
(2R,4R)-4-hydroxy-1-[(2-methoxycyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999621
(3R)-N-[(1R,2R)-2-methoxycyclohexyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 124741783
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
4-ethyl-1-[(2-methoxycyclopentyl)carbamoyl]piperidine-2-carboxylic acid
CID 114430343

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid (CID 122016519) is 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid is CO[C@@H]1CCC[C@H]1NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is FJTYFOYKULXCOE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-11-4-2-3-10(11)14-13(18)15-7-5-9(6-8-15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1.
What are the key properties of 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122016519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).