(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

C12H21NO2 — CID 59136393

IUPAC(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C12H21NO2/c1-2-10(7-14)13-12(15)11-6-8-3-4-9(11)5-8/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9+,10-,11-/m0/s1
InChIKeyXIKTUYGIEVVLDA-VLEAKVRGSA-N
MW211.30 g/mol
LogP1.31
Rot. Bonds4

About (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 59136393) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID59136393
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C12H21NO2/c1-2-10(7-14)13-12(15)11-6-8-3-4-9(11)5-8/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9+,10-,11-/m0/s1
InChIKeyXIKTUYGIEVVLDA-VLEAKVRGSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
N-(2-Hydroxyethyl)-2-(isopropyl)-5-methylcyclohexanecarboxamide
CID 3016102
N-(heptan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 565312
N-(3-hydroxybutan-2-yl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 135009546
N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103723011
N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103770113
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857208
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 104858063
2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248485
2-(2-bicyclo[2.2.1]heptanyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258560
2-[[2-(2-Bicyclo[2.2.1]heptanyl)acetyl]amino]-3-fluoropropanoic acid
CID 121946463
N-(butan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3522643

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 59136393) is (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is CC[C@@H](CO)NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XIKTUYGIEVVLDA-VLEAKVRGSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-10(7-14)13-12(15)11-6-8-3-4-9(11)5-8/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9+,10-,11-/m0/s1.
What are the key properties of (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 59136393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).