calcium;1-formamidocyclopropane-1-carboxylic acid;hydride

C5H9CaNO3 — CID 173415271

IUPACcalcium;1-formamidocyclopropane-1-carboxylic acid;hydride
SMILESO=CNC1(C(=O)O)CC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H7NO3.Ca.2H/c7-3-6-5(1-2-5)4(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);;;/q;+2;2*-1
InChIKeyJFNUGGFAVWWDBR-UHFFFAOYSA-N
MW171.21 g/mol
LogP-0.81
Rot. Bonds3

About calcium;1-formamidocyclopropane-1-carboxylic acid;hydride

calcium;1-formamidocyclopropane-1-carboxylic acid;hydride (PubChem CID 173415271) has the molecular formula C5H9CaNO3 and a molecular weight of 171.21 g/mol. Its IUPAC name is calcium;1-formamidocyclopropane-1-carboxylic acid;hydride.

Molecular Properties

Compound Namecalcium;1-formamidocyclopropane-1-carboxylic acid;hydride
PubChem CID173415271
Molecular FormulaC5H9CaNO3
Molecular Weight171.21 g/mol
Exact Mass171.02
IUPAC Namecalcium;1-formamidocyclopropane-1-carboxylic acid;hydride
SMILESO=CNC1(C(=O)O)CC1.[Ca+2].[H-].[H-]
InChIInChI=1S/C5H7NO3.Ca.2H/c7-3-6-5(1-2-5)4(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);;;/q;+2;2*-1
InChIKeyJFNUGGFAVWWDBR-UHFFFAOYSA-N
XLogP-0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of calcium;1-formamidocyclopropane-1-carboxylic acid;hydride?
The IUPAC name of calcium;1-formamidocyclopropane-1-carboxylic acid;hydride (CID 173415271) is calcium;1-formamidocyclopropane-1-carboxylic acid;hydride.
What is the SMILES notation for calcium;1-formamidocyclopropane-1-carboxylic acid;hydride?
The canonical SMILES for calcium;1-formamidocyclopropane-1-carboxylic acid;hydride is O=CNC1(C(=O)O)CC1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;1-formamidocyclopropane-1-carboxylic acid;hydride?
The InChIKey is JFNUGGFAVWWDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.Ca.2H/c7-3-6-5(1-2-5)4(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;1-formamidocyclopropane-1-carboxylic acid;hydride?
calcium;1-formamidocyclopropane-1-carboxylic acid;hydride has a molecular weight of 171.21 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1-formamidocyclopropane-1-carboxylic acid;hydride is sourced from PubChem (CID 173415271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).