amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate

C7H11NO3 — CID 152950134

IUPACamino 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESNOC(=O)C1CCC2OC2C1
InChIInChI=1S/C7H11NO3/c8-11-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3,8H2
InChIKeyAWTWMDORWICASI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.03
Rot. Bonds1

About amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate

amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 152950134) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Nameamino 7-oxabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID152950134
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameamino 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESNOC(=O)C1CCC2OC2C1
InChIInChI=1S/C7H11NO3/c8-11-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3,8H2
InChIKeyAWTWMDORWICASI-UHFFFAOYSA-N
XLogP-0.03
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl (1S,3S,6R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 57416186
[4-[[(1R)-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxymethyl]cyclohexyl]methyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 146369656
[4-[[(1S)-7-oxabicyclo[4.1.0]heptane-3-carbonyl]oxymethyl]cyclohexyl]methyl (1S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 89484746
propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 15930981
[(3R)-7-oxabicyclo[4.1.0]heptan-3-yl]methyl (3S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 166762136
ethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 174903324
4-hydroxybutyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 149054269
(3R)-7-oxabicyclo[4.1.0]heptane-3-carboxylic acid
CID 87620836
4-chlorobutyl (1S,3R,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 98152753
(4-ethylcyclohexyl)methyl (1R)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 155483082
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;bis(3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane)
CID 158857090
1,3-dichloropropan-2-yl (1S,3R,6S)-7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 98153394

Frequently Asked Questions

What is the IUPAC name of amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 152950134) is amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate is NOC(=O)C1CCC2OC2C1.
What is the InChIKey of amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is AWTWMDORWICASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c8-11-7(9)4-1-2-5-6(3-4)10-5/h4-6H,1-3,8H2.
What are the key properties of amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 152950134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).