1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride

C6H14ClNO2 — CID 141398167

IUPAC1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
SMILESCl.[2H]C([2H])([2H])C(OC(=O)[C@H](C)N)C([2H])([2H])[2H]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1/i1D3,2D3;
InChIKeyYAQKNCSWDMGPOY-YIUVPUIYSA-N
MW173.67 g/mol
LogP0.71
Rot. Bonds4

About 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride

1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 141398167) has the molecular formula C6H14ClNO2 and a molecular weight of 173.67 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
PubChem CID141398167
Molecular FormulaC6H14ClNO2
Molecular Weight173.67 g/mol
Exact Mass173.11
IUPAC Name1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
SMILESCl.[2H]C([2H])([2H])C(OC(=O)[C@H](C)N)C([2H])([2H])[2H]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1/i1D3,2D3;
InChIKeyYAQKNCSWDMGPOY-YIUVPUIYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
CID 145193222
CID 145193222
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
2-aminopropanamide;dihydrochloride
CID 19963402
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
methyl 2-aminopropanoate
CID 159707893

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride (CID 141398167) is 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride is Cl.[2H]C([2H])([2H])C(OC(=O)[C@H](C)N)C([2H])([2H])[2H].
What is the InChIKey of 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is YAQKNCSWDMGPOY-YIUVPUIYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1/i1D3,2D3;.
What are the key properties of 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride?
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 173.67 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 141398167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).