(1-aminocyclopropyl) hydrogen carbonate

C4H7NO3 — CID 23070284

IUPAC(1-aminocyclopropyl) hydrogen carbonate
SMILESNC1(OC(=O)O)CC1
InChIInChI=1S/C4H7NO3/c5-4(1-2-4)8-3(6)7/h1-2,5H2,(H,6,7)
InChIKeyPUZIZSZZXWYITK-UHFFFAOYSA-N
MW117.10 g/mol
LogP0.13
Rot. Bonds1

About (1-aminocyclopropyl) hydrogen carbonate

(1-aminocyclopropyl) hydrogen carbonate (PubChem CID 23070284) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is (1-aminocyclopropyl) hydrogen carbonate.

Molecular Properties

Compound Name(1-aminocyclopropyl) hydrogen carbonate
PubChem CID23070284
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name(1-aminocyclopropyl) hydrogen carbonate
SMILESNC1(OC(=O)O)CC1
InChIInChI=1S/C4H7NO3/c5-4(1-2-4)8-3(6)7/h1-2,5H2,(H,6,7)
InChIKeyPUZIZSZZXWYITK-UHFFFAOYSA-N
XLogP0.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(4-carboxyoxy-1-bicyclo[2.2.2]octanyl) hydrogen carbonate
CID 70662194
(1-aminocyclohexyl) carbamate;hydrochloride
CID 143520361
(3,5,7-tricarboxyoxy-1-adamantyl) hydrogen carbonate
CID 70118338
(1-hydroxycyclohexyl) hydrogen carbonate
CID 69015905
[1-(chloromethyl)cyclopentyl] hydrogen carbonate
CID 121370298
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
[4-(aminomethyl)-1-methylcyclohexyl] hydrogen carbonate
CID 172908473
(2-aminosilyloxan-2-yl) hydrogen carbonate
CID 173333928
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclopentane-1-carboxylic acid
CID 2901
(2,2-difluoro-1-methylcyclopropyl) hydrogen carbonate
CID 67900975

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl) hydrogen carbonate?
The IUPAC name of (1-aminocyclopropyl) hydrogen carbonate (CID 23070284) is (1-aminocyclopropyl) hydrogen carbonate.
What is the SMILES notation for (1-aminocyclopropyl) hydrogen carbonate?
The canonical SMILES for (1-aminocyclopropyl) hydrogen carbonate is NC1(OC(=O)O)CC1.
What is the InChIKey of (1-aminocyclopropyl) hydrogen carbonate?
The InChIKey is PUZIZSZZXWYITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c5-4(1-2-4)8-3(6)7/h1-2,5H2,(H,6,7).
What are the key properties of (1-aminocyclopropyl) hydrogen carbonate?
(1-aminocyclopropyl) hydrogen carbonate has a molecular weight of 117.10 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl) hydrogen carbonate is sourced from PubChem (CID 23070284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).