(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride

C6H15ClN2O4 — CID 175513971

IUPAC(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
SMILESCOC(=O)CN.C[C@H](N)C(=O)O.Cl
InChIInChI=1S/2C3H7NO2.ClH/c1-6-3(5)2-4;1-2(4)3(5)6;/h2,4H2,1H3;2H,4H2,1H3,(H,5,6);1H/t;2-;/m.0./s1
InChIKeyMBRBGHYGARLQHC-TYOUJGAFSA-N
MW214.65 g/mol
LogP-1.04
Rot. Bonds2

About (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride

(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride (PubChem CID 175513971) has the molecular formula C6H15ClN2O4 and a molecular weight of 214.65 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
PubChem CID175513971
Molecular FormulaC6H15ClN2O4
Molecular Weight214.65 g/mol
Exact Mass214.07
IUPAC Name(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
SMILESCOC(=O)CN.C[C@H](N)C(=O)O.Cl
InChIInChI=1S/2C3H7NO2.ClH/c1-6-3(5)2-4;1-2(4)3(5)6;/h2,4H2,1H3;2H,4H2,1H3,(H,5,6);1H/t;2-;/m.0./s1
InChIKeyMBRBGHYGARLQHC-TYOUJGAFSA-N
XLogP-1.04
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride?
The IUPAC name of (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride (CID 175513971) is (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride?
The canonical SMILES for (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride is COC(=O)CN.C[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride?
The InChIKey is MBRBGHYGARLQHC-TYOUJGAFSA-N. The full InChI is InChI=1S/2C3H7NO2.ClH/c1-6-3(5)2-4;1-2(4)3(5)6;/h2,4H2,1H3;2H,4H2,1H3,(H,5,6);1H/t;2-;/m.0./s1.
What are the key properties of (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride?
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride has a molecular weight of 214.65 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 175513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).