3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H26N2O2 — CID 106292057

IUPAC3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H26N2O2/c1-3-6-14(2,18)8-16-13(17)11-9-4-5-10(7-9)12(11)15/h9-12,18H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyIDMCFFCTFNDRCV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.03
Rot. Bonds5

About 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106292057) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106292057
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCC(C)(O)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C14H26N2O2/c1-3-6-14(2,18)8-16-13(17)11-9-4-5-10(7-9)12(11)15/h9-12,18H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyIDMCFFCTFNDRCV-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266365
3-amino-N-(3,3-difluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266695
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119744740
(3-Amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119800770
(3-Amino-2-bicyclo[2.2.1]heptanyl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 119800771
(1S,2R,3S,4R)-N-(2-hydroxyethyl)-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 171674796
(1S,2R,3S,4R)-N-cyclopropyl-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 171675092
(1S,2R,3R,4R)-N-(2-methylpropyl)-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 171675096
(1S,2R,3R,4R)-N-[(2S)-1-hydroxyhexan-2-yl]-3-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 171677686
3-(Methylamino)bicyclo[2.2.1]heptane-2-carboxamide
CID 58168932
(1R,2S,4S)-N-[(2S)-1-hydroxybutan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 59136393

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 106292057) is 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is CCCC(C)(O)CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IDMCFFCTFNDRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-6-14(2,18)8-16-13(17)11-9-4-5-10(7-9)12(11)15/h9-12,18H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106292057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).