methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride

C7H15ClN2O3 — CID 56924290

IUPACmethyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-4(8)6(10)9-5(2)7(11)12-3;/h4-5H,8H2,1-3H3,(H,9,10);1H/t4-,5-;/m1./s1
InChIKeyWVSVBOMWSCRPGM-TYSVMGFPSA-N
MW210.66 g/mol
LogP-0.57
Rot. Bonds3

About methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride

methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride (PubChem CID 56924290) has the molecular formula C7H15ClN2O3 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride
PubChem CID56924290
Molecular FormulaC7H15ClN2O3
Molecular Weight210.66 g/mol
Exact Mass210.08
IUPAC Namemethyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C7H14N2O3.ClH/c1-4(8)6(10)9-5(2)7(11)12-3;/h4-5H,8H2,1-3H3,(H,9,10);1H/t4-,5-;/m1./s1
InChIKeyWVSVBOMWSCRPGM-TYSVMGFPSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride (CID 56924290) is methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride is COC(=O)[C@@H](C)NC(=O)[C@@H](C)N.Cl.
What is the InChIKey of methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The InChIKey is WVSVBOMWSCRPGM-TYSVMGFPSA-N. The full InChI is InChI=1S/C7H14N2O3.ClH/c1-4(8)6(10)9-5(2)7(11)12-3;/h4-5H,8H2,1-3H3,(H,9,10);1H/t4-,5-;/m1./s1.
What are the key properties of methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride?
methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 56924290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).