2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride

C7H17ClN2O4 — CID 159922331

IUPAC2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](N)C(=O)O.Cl.NCC(=O)O
InChIInChI=1S/C5H11NO2.C2H5NO2.ClH/c1-3(2)4(6)5(7)8;3-1-2(4)5;/h3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5);1H/t4-;;/m0../s1
InChIKeyNMVYJKLRPNATAK-FHNDMYTFSA-N
MW228.68 g/mol
LogP-0.49
Rot. Bonds3

About 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride (PubChem CID 159922331) has the molecular formula C7H17ClN2O4 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
PubChem CID159922331
Molecular FormulaC7H17ClN2O4
Molecular Weight228.68 g/mol
Exact Mass228.09
IUPAC Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@H](N)C(=O)O.Cl.NCC(=O)O
InChIInChI=1S/C5H11NO2.C2H5NO2.ClH/c1-3(2)4(6)5(7)8;3-1-2(4)5;/h3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5);1H/t4-;;/m0../s1
InChIKeyNMVYJKLRPNATAK-FHNDMYTFSA-N
XLogP-0.49
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 22856238
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
silver 2-amino-3-methylbutanoic acid
CID 19021116
tetrakis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 23551203
4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87497053
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
2-aminoacetic acid;(2R)-2-amino-3-methylpentanoic acid
CID 87257190

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride (CID 159922331) is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride is CC(C)[C@H](N)C(=O)O.Cl.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride?
The InChIKey is NMVYJKLRPNATAK-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H11NO2.C2H5NO2.ClH/c1-3(2)4(6)5(7)8;3-1-2(4)5;/h3-4H,6H2,1-2H3,(H,7,8);1,3H2,(H,4,5);1H/t4-;;/m0../s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride?
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of -0.49, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 159922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).