1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid

C15H26N2O3 — CID 78974429

IUPAC1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CCN(C(=O)N1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)8-10-16(12-6-7-12)15(20)17-9-4-3-5-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyWZLOBTDQGCRRSX-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.56
Rot. Bonds5

About 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid

1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 78974429) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID78974429
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC(C)CCN(C(=O)N1CCCCC1C(=O)O)C1CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)8-10-16(12-6-7-12)15(20)17-9-4-3-5-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyWZLOBTDQGCRRSX-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
CID 102865081
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[cyclopropylmethyl(propan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 55000610
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
1-[methyl(3-methylbutyl)sulfamoyl]piperidine-2-carboxylic acid
CID 55028848
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
4-[cyclopropyl(3-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 78951224
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid (CID 78974429) is 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid is CC(C)CCN(C(=O)N1CCCCC1C(=O)O)C1CC1.
What is the InChIKey of 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is WZLOBTDQGCRRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)8-10-16(12-6-7-12)15(20)17-9-4-3-5-13(17)14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid?
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 78974429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).