1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid

C11H16N2O4 — CID 80720753

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1CC2CCC1O2)NC1(C(=O)O)CC1
InChIInChI=1S/C11H16N2O4/c14-9(15)11(3-4-11)13-10(16)12-7-5-6-1-2-8(7)17-6/h6-8H,1-5H2,(H,14,15)(H2,12,13,16)
InChIKeyBZDWTMYAXKCNPM-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.22
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 80720753) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID80720753
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NC1CC2CCC1O2)NC1(C(=O)O)CC1
InChIInChI=1S/C11H16N2O4/c14-9(15)11(3-4-11)13-10(16)12-7-5-6-1-2-8(7)17-6/h6-8H,1-5H2,(H,14,15)(H2,12,13,16)
InChIKeyBZDWTMYAXKCNPM-UHFFFAOYSA-N
XLogP0.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919296
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
1-[(1-hydroxycycloheptyl)methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129378688
3-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 80720615
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
(E)-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-4-oxobut-2-enoic acid
CID 80716686
3-methyl-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122002497
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 80720753) is 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid is O=C(NC1CC2CCC1O2)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is BZDWTMYAXKCNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9(15)11(3-4-11)13-10(16)12-7-5-6-1-2-8(7)17-6/h6-8H,1-5H2,(H,14,15)(H2,12,13,16).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 80720753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).