2-(1-carboxylatoethylazaniumyl)propanoate

C6H10NO4- — CID 46878485

IUPAC2-(1-carboxylatoethylazaniumyl)propanoate
SMILESCC([NH2+]C(C)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/p-1
InChIKeyFIOHTMQGSFVHEZ-UHFFFAOYSA-M
MW160.15 g/mol
LogP-4.17
Rot. Bonds4

About 2-(1-carboxylatoethylazaniumyl)propanoate

2-(1-carboxylatoethylazaniumyl)propanoate (PubChem CID 46878485) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is 2-(1-carboxylatoethylazaniumyl)propanoate.

Molecular Properties

Compound Name2-(1-carboxylatoethylazaniumyl)propanoate
PubChem CID46878485
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name2-(1-carboxylatoethylazaniumyl)propanoate
SMILESCC([NH2+]C(C)C(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/p-1
InChIKeyFIOHTMQGSFVHEZ-UHFFFAOYSA-M
XLogP-4.17
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-4.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxylatoethylazaniumyl)propanoate?
The IUPAC name of 2-(1-carboxylatoethylazaniumyl)propanoate (CID 46878485) is 2-(1-carboxylatoethylazaniumyl)propanoate.
What is the SMILES notation for 2-(1-carboxylatoethylazaniumyl)propanoate?
The canonical SMILES for 2-(1-carboxylatoethylazaniumyl)propanoate is CC([NH2+]C(C)C(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-(1-carboxylatoethylazaniumyl)propanoate?
The InChIKey is FIOHTMQGSFVHEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO4/c1-3(5(8)9)7-4(2)6(10)11/h3-4,7H,1-2H3,(H,8,9)(H,10,11)/p-1.
What are the key properties of 2-(1-carboxylatoethylazaniumyl)propanoate?
2-(1-carboxylatoethylazaniumyl)propanoate has a molecular weight of 160.15 g/mol, XLogP of -4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxylatoethylazaniumyl)propanoate is sourced from PubChem (CID 46878485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).