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

C15H27NO3 — CID 129275253

IUPAC2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC([C@H]2C[C@H]2CCO)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-QZQSVVMZSA-N
MW269.38 g/mol
LogP2.81
Rot. Bonds3

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

2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (PubChem CID 129275253) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
PubChem CID129275253
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)C1CC([C@H]2C[C@H]2CCO)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-QZQSVVMZSA-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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Related Compounds

4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
CID 66927001
4-[(1R,2R)-2-[(4-bromophenyl)methoxymethyl]cyclopropyl]-2-tert-butylpiperidine-1-carboxylic acid
CID 90116096
2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethanol
CID 58128523
2-tert-butyl-4-(2-hydroxyethoxymethyl)piperidine-1-carboxylic acid
CID 146599489
2-tert-butyl-4-hydroxyazepane-1-carboxylic acid
CID 69028711
(2S)-2-tert-butyl-3-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid
CID 176886938
ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
CID 123790231
2-tert-butyl-4-[(2-ethoxy-2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 158701552
2-tert-butyl-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]piperidine-1-carboxylic acid
CID 176887128
2-tert-butyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 166692470
4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
CID 151002782
N'-hydroxy-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboximidamide
CID 88996009

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid (CID 129275253) is 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is CC(C)(C)C1CC([C@H]2C[C@H]2CCO)CCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
The InChIKey is SORJVYUKTHWONO-QZQSVVMZSA-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 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid?
2-tert-butyl-4-[(1R,2S)-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 2-tert-butyl-4-[(1R,2S)-2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 129275253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).