1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid

C12H20N2O3 — CID 43533691

IUPAC1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-8(9-4-5-9)13-12(17)14-6-2-3-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFKONRWRWDGYSOF-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds3

About 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid

1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 43533691) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID43533691
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCCC(C(=O)O)C1)C1CC1
InChIInChI=1S/C12H20N2O3/c1-8(9-4-5-9)13-12(17)14-6-2-3-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyFKONRWRWDGYSOF-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3S)-1-[1-(oxolan-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 104876966
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid (CID 43533691) is 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid is CC(NC(=O)N1CCCC(C(=O)O)C1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is FKONRWRWDGYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(9-4-5-9)13-12(17)14-6-2-3-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid?
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43533691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).