N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C13H21NO2 — CID 105343021

IUPACN-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H21NO2/c1-2-9(6-15)14-13(16)12-10-7-3-4-8(5-7)11(10)12/h7-12,15H,2-6H2,1H3,(H,14,16)/t7?,8?,9-,10?,11?,12?/m0/s1
InChIKeyUTAKLATXDKPFGL-GISRUYEVSA-N
MW223.32 g/mol
LogP1.17
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 105343021) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID105343021
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H21NO2/c1-2-9(6-15)14-13(16)12-10-7-3-4-8(5-7)11(10)12/h7-12,15H,2-6H2,1H3,(H,14,16)/t7?,8?,9-,10?,11?,12?/m0/s1
InChIKeyUTAKLATXDKPFGL-GISRUYEVSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
N-(1-bromo-3-methoxypropan-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 106184432
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995
(2R,3S)-3-(1-hydroxybutan-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114091864
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717
(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid
CID 103804245
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113265821
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
CID 103920134

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 105343021) is N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide is CC[C@@H](CO)NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is UTAKLATXDKPFGL-GISRUYEVSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-9(6-15)14-13(16)12-10-7-3-4-8(5-7)11(10)12/h7-12,15H,2-6H2,1H3,(H,14,16)/t7?,8?,9-,10?,11?,12?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 105343021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).