1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C13H24N2O4 — CID 106744155

IUPAC1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O4/c1-9(2)14(6-7-16)13(19)15-5-4-11(12(17)18)8-10(15)3/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyDDCPDIOCHVQHBL-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.99
Rot. Bonds4

About 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744155) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744155
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H24N2O4/c1-9(2)14(6-7-16)13(19)15-5-4-11(12(17)18)8-10(15)3/h9-11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeyDDCPDIOCHVQHBL-UHFFFAOYSA-N
XLogP0.99
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744155) is 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CC(C)N(CCO)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is DDCPDIOCHVQHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)14(6-7-16)13(19)15-5-4-11(12(17)18)8-10(15)3/h9-11,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).