2-(1-carboxylatoethylamino)propanoate

C6H9NO4-2 — CID 11966151

IUPAC2-(1-carboxylatoethylamino)propanoate
SMILESCC(NC(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-2
InChIKeyFIOHTMQGSFVHEZ-UHFFFAOYSA-L
MW159.14 g/mol
LogP-3.15
Rot. Bonds4

About 2-(1-carboxylatoethylamino)propanoate

2-(1-carboxylatoethylamino)propanoate (PubChem CID 11966151) has the molecular formula C6H9NO4-2 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(1-carboxylatoethylamino)propanoate.

Molecular Properties

Compound Name2-(1-carboxylatoethylamino)propanoate
PubChem CID11966151
Molecular FormulaC6H9NO4-2
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(1-carboxylatoethylamino)propanoate
SMILESCC(NC(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-2
InChIKeyFIOHTMQGSFVHEZ-UHFFFAOYSA-L
XLogP-3.15
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-3.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxylatoethylamino)propanoate?
The IUPAC name of 2-(1-carboxylatoethylamino)propanoate (CID 11966151) is 2-(1-carboxylatoethylamino)propanoate.
What is the SMILES notation for 2-(1-carboxylatoethylamino)propanoate?
The canonical SMILES for 2-(1-carboxylatoethylamino)propanoate is CC(NC(C)C(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-(1-carboxylatoethylamino)propanoate?
The InChIKey is FIOHTMQGSFVHEZ-UHFFFAOYSA-L. 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-2.
What are the key properties of 2-(1-carboxylatoethylamino)propanoate?
2-(1-carboxylatoethylamino)propanoate has a molecular weight of 159.14 g/mol, XLogP of -3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxylatoethylamino)propanoate is sourced from PubChem (CID 11966151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).