7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid

C7H11NO3 — CID 67016834

IUPAC7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC1O2
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-3-4-1-2-6(5)11-4/h4-6,8H,1-3H2,(H,9,10)
InChIKeyXWMONWRTXXRSAT-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.57
Rot. Bonds1

About 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid

7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid (PubChem CID 67016834) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
PubChem CID67016834
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC1O2
InChIInChI=1S/C7H11NO3/c9-7(10)8-5-3-4-1-2-6(5)11-4/h4-6,8H,1-3H2,(H,9,10)
InChIKeyXWMONWRTXXRSAT-UHFFFAOYSA-N
XLogP0.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
(E)-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 80716686
2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
CID 80717636
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688738
2,2-dimethyl-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-3-oxopropanoic acid
CID 82821881
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80720753
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid (CID 67016834) is 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid is O=C(O)NC1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid?
The InChIKey is XWMONWRTXXRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)8-5-3-4-1-2-6(5)11-4/h4-6,8H,1-3H2,(H,9,10).
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid?
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid is sourced from PubChem (CID 67016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).