2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride

C6H13ClN2O3 — CID 88764935

IUPAC2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)CC(=O)O.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-4(7)6(11)8(2)3-5(9)10;/h4H,3,7H2,1-2H3,(H,9,10);1H/t4-;/m1./s1
InChIKeyYHDIIZFXWLLXMR-PGMHMLKASA-N
MW196.63 g/mol
LogP-0.70
Rot. Bonds3

About 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride

2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride (PubChem CID 88764935) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
PubChem CID88764935
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)CC(=O)O.Cl
InChIInChI=1S/C6H12N2O3.ClH/c1-4(7)6(11)8(2)3-5(9)10;/h4H,3,7H2,1-2H3,(H,9,10);1H/t4-;/m1./s1
InChIKeyYHDIIZFXWLLXMR-PGMHMLKASA-N
XLogP-0.70
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
2-[(2,2-dichloroacetyl)-methylamino]acetic acid
CID 21402665
2-[3-aminobutanoyl(methyl)amino]acetic acid
CID 61159500
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 78972028
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873302

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride (CID 88764935) is 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride is C[C@@H](N)C(=O)N(C)CC(=O)O.Cl.
What is the InChIKey of 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride?
The InChIKey is YHDIIZFXWLLXMR-PGMHMLKASA-N. The full InChI is InChI=1S/C6H12N2O3.ClH/c1-4(7)6(11)8(2)3-5(9)10;/h4H,3,7H2,1-2H3,(H,9,10);1H/t4-;/m1./s1.
What are the key properties of 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride?
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 88764935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).