hydron;propan-2-yl (2S)-2-aminopropanoate;chloride

C6H14ClNO2 — CID 173116569

IUPAChydron;propan-2-yl (2S)-2-aminopropanoate;chloride
SMILESCC(C)OC(=O)[C@H](C)N.[Cl-].[H+]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyYAQKNCSWDMGPOY-JEDNCBNOSA-N
MW167.64 g/mol
LogP-2.60
Rot. Bonds2

About hydron;propan-2-yl (2S)-2-aminopropanoate;chloride

hydron;propan-2-yl (2S)-2-aminopropanoate;chloride (PubChem CID 173116569) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is hydron;propan-2-yl (2S)-2-aminopropanoate;chloride.

Molecular Properties

Compound Namehydron;propan-2-yl (2S)-2-aminopropanoate;chloride
PubChem CID173116569
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namehydron;propan-2-yl (2S)-2-aminopropanoate;chloride
SMILESCC(C)OC(=O)[C@H](C)N.[Cl-].[H+]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyYAQKNCSWDMGPOY-JEDNCBNOSA-N
XLogP-2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791
dipropan-2-yl 2-aminopropanedioate
CID 141226348
CID 145193222
CID 145193222
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-aminopropanoate;hydrochloride
CID 141398167
propan-2-yl (2R)-3-amino-2-methylbutanoate
CID 154999103
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
1-trimethylsilylethyl (2R)-2-aminopropanoate
CID 87632217
butan-2-yl (2R)-2-aminopropanoate
CID 45086644

Frequently Asked Questions

What is the IUPAC name of hydron;propan-2-yl (2S)-2-aminopropanoate;chloride?
The IUPAC name of hydron;propan-2-yl (2S)-2-aminopropanoate;chloride (CID 173116569) is hydron;propan-2-yl (2S)-2-aminopropanoate;chloride.
What is the SMILES notation for hydron;propan-2-yl (2S)-2-aminopropanoate;chloride?
The canonical SMILES for hydron;propan-2-yl (2S)-2-aminopropanoate;chloride is CC(C)OC(=O)[C@H](C)N.[Cl-].[H+].
What is the InChIKey of hydron;propan-2-yl (2S)-2-aminopropanoate;chloride?
The InChIKey is YAQKNCSWDMGPOY-JEDNCBNOSA-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.
What are the key properties of hydron;propan-2-yl (2S)-2-aminopropanoate;chloride?
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride has a molecular weight of 167.64 g/mol, XLogP of -2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;propan-2-yl (2S)-2-aminopropanoate;chloride is sourced from PubChem (CID 173116569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).