(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid

C15H27NO3 — CID 66935268

IUPAC(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C[C@H](C2CC2CCO)CCN1C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)13-9-10(4-6-16(13)14(18)19)12-8-11(12)5-7-17/h10-13,17H,4-9H2,1-3H3,(H,18,19)/t10-,11?,12?,13+/m1/s1
InChIKeySORJVYUKTHWONO-XVSSEFHLSA-N
MW269.38 g/mol
LogP2.81
Rot. Bonds3

About (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid

(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (PubChem CID 66935268) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
PubChem CID66935268
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C[C@H](C2CC2CCO)CCN1C(=O)O
InChIInChI=1S/C15H27NO3/c1-15(2,3)13-9-10(4-6-16(13)14(18)19)12-8-11(12)5-7-17/h10-13,17H,4-9H2,1-3H3,(H,18,19)/t10-,11?,12?,13+/m1/s1
InChIKeySORJVYUKTHWONO-XVSSEFHLSA-N
XLogP2.81
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (CID 66935268) is (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is CC(C)(C)[C@@H]1C[C@H](C2CC2CCO)CCN1C(=O)O.
What is the InChIKey of (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The InChIKey is SORJVYUKTHWONO-XVSSEFHLSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)13-9-10(4-6-16(13)14(18)19)12-8-11(12)5-7-17/h10-13,17H,4-9H2,1-3H3,(H,18,19)/t10-,11?,12?,13+/m1/s1.
What are the key properties of (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
(2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-tert-butyl-4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66935268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).