(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 104866292

IUPAC(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(NC(=O)N2CCC[C@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-4-7-13)14-12(18)15-8-3-5-10(9-15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyDUZQPTZXDYTMHH-JTQLQIEISA-N
MW254.33 g/mol
LogP1.83
Rot. Bonds3

About (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 104866292) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID104866292
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(NC(=O)N2CCC[C@H](C(=O)O)C2)CCC1
InChIInChI=1S/C13H22N2O3/c1-2-13(6-4-7-13)14-12(18)15-8-3-5-10(9-15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyDUZQPTZXDYTMHH-JTQLQIEISA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
1-[(1-propylcyclobutyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006393
(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 104865261
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
1-(2-ethylsulfonylethylcarbamoyl)piperidine-3-carboxylic acid
CID 114111695
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593
1-[(1-ethylcyclobutyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071894
1-[(2-methylcyclopropyl)carbamoyl]piperidine-3-carboxylic acid
CID 62409221
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid (CID 104866292) is (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid is CCC1(NC(=O)N2CCC[C@H](C(=O)O)C2)CCC1.
What is the InChIKey of (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DUZQPTZXDYTMHH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-13(6-4-7-13)14-12(18)15-8-3-5-10(9-15)11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-ethylcyclobutyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 104866292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).