(2R)-2-(2-carboxylatoethylazaniumyl)propanoate

C6H10NO4- — CID 46224565

IUPAC(2R)-2-(2-carboxylatoethylazaniumyl)propanoate
SMILESC[C@@H]([NH2+]CCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
InChIKeyOAWHMSFCLIYBHE-SCSAIBSYSA-M
MW160.15 g/mol
LogP-4.17
Rot. Bonds5

About (2R)-2-(2-carboxylatoethylazaniumyl)propanoate

(2R)-2-(2-carboxylatoethylazaniumyl)propanoate (PubChem CID 46224565) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (2R)-2-(2-carboxylatoethylazaniumyl)propanoate.

Molecular Properties

Compound Name(2R)-2-(2-carboxylatoethylazaniumyl)propanoate
PubChem CID46224565
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(2R)-2-(2-carboxylatoethylazaniumyl)propanoate
SMILESC[C@@H]([NH2+]CCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
InChIKeyOAWHMSFCLIYBHE-SCSAIBSYSA-M
XLogP-4.17
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

Alanopine
CID 439943
N-(Carboxymethyl)-beta-alanine
CID 281622
N-methylalanine zwitterion
CID 6971259
N-(Carboxymethyl)-D-alanine
CID 5462254
2,2'-Iminodipropanoate
CID 46878485
N-Propyl alanine, L-
CID 15677243
2-[(Carboxymethyl)amino]butanoic acid
CID 21643693
Potassium N-methylalaninate
CID 23687876
N-(carboxylatomethyl)-D-alanine
CID 6971284
2,2'-Azanediyldipropanoate
CID 11966151
3-(Carboxymethyl-amino)-propanoate
CID 25201674
(3R)-3-[(carboxylmethyl)amino]butanoate
CID 165368692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-carboxylatoethylazaniumyl)propanoate?
The IUPAC name of (2R)-2-(2-carboxylatoethylazaniumyl)propanoate (CID 46224565) is (2R)-2-(2-carboxylatoethylazaniumyl)propanoate.
What is the SMILES notation for (2R)-2-(2-carboxylatoethylazaniumyl)propanoate?
The canonical SMILES for (2R)-2-(2-carboxylatoethylazaniumyl)propanoate is C[C@@H]([NH2+]CCC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2R)-2-(2-carboxylatoethylazaniumyl)propanoate?
The InChIKey is OAWHMSFCLIYBHE-SCSAIBSYSA-M. The full InChI is InChI=1S/C6H11NO4/c1-4(6(10)11)7-3-2-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1.
What are the key properties of (2R)-2-(2-carboxylatoethylazaniumyl)propanoate?
(2R)-2-(2-carboxylatoethylazaniumyl)propanoate has a molecular weight of 160.15 g/mol, XLogP of -4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-carboxylatoethylazaniumyl)propanoate is sourced from PubChem (CID 46224565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).