N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

C11H19NO3 — CID 66176464

IUPACN-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(O)CO)C1CC2CCC1C2
InChIInChI=1S/C11H19NO3/c13-6-9(14)5-12-11(15)10-4-7-1-2-8(10)3-7/h7-10,13-14H,1-6H2,(H,12,15)
InChIKeyHZYGFQZJCZNAAQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.11
Rot. Bonds4

About N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 66176464) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID66176464
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC(O)CO)C1CC2CCC1C2
InChIInChI=1S/C11H19NO3/c13-6-9(14)5-12-11(15)10-4-7-1-2-8(10)3-7/h7-10,13-14H,1-6H2,(H,12,15)
InChIKeyHZYGFQZJCZNAAQ-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103771225
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177065
N-(2,3-dihydroxypropyl)adamantane-2-carboxamide
CID 81096560
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
(1S,2R,4S)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124733009

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 66176464) is N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC(O)CO)C1CC2CCC1C2.
What is the InChIKey of N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HZYGFQZJCZNAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-6-9(14)5-12-11(15)10-4-7-1-2-8(10)3-7/h7-10,13-14H,1-6H2,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 66176464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).