[(2R)-2-ethoxypropanoyl]azanium chloride

C5H12ClNO2 — CID 163361929

IUPAC[(2R)-2-ethoxypropanoyl]azanium chloride
SMILESCCO[C@H](C)C([NH3+])=O.[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H/t4-;/m1./s1
InChIKeyJOLUYQQPBGIBPK-PGMHMLKASA-N
MW153.61 g/mol
LogP-3.82
Rot. Bonds3

About [(2R)-2-ethoxypropanoyl]azanium chloride

[(2R)-2-ethoxypropanoyl]azanium chloride (PubChem CID 163361929) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is [(2R)-2-ethoxypropanoyl]azanium chloride.

Molecular Properties

Compound Name[(2R)-2-ethoxypropanoyl]azanium chloride
PubChem CID163361929
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name[(2R)-2-ethoxypropanoyl]azanium chloride
SMILESCCO[C@H](C)C([NH3+])=O.[Cl-]
InChIInChI=1S/C5H11NO2.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H/t4-;/m1./s1
InChIKeyJOLUYQQPBGIBPK-PGMHMLKASA-N
XLogP-3.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-3.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxypropanoic acid;methane
CID 160636954
sodium 2-ethoxypropanoate
CID 141029681
amino 2-ethoxypropanoate
CID 87914402
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
CID 21266963
CID 21266963
2-ethoxy-6-methylheptan-3-one
CID 64539848
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
2-ethoxy-5-methylheptan-3-one
CID 64540469
carbonic acid;1,1-diethoxyethane
CID 87827362
acetamide;1-ethoxyethanol
CID 175470032
2-ethoxy-5-methylhex-5-en-3-one
CID 79178457

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethoxypropanoyl]azanium chloride?
The IUPAC name of [(2R)-2-ethoxypropanoyl]azanium chloride (CID 163361929) is [(2R)-2-ethoxypropanoyl]azanium chloride.
What is the SMILES notation for [(2R)-2-ethoxypropanoyl]azanium chloride?
The canonical SMILES for [(2R)-2-ethoxypropanoyl]azanium chloride is CCO[C@H](C)C([NH3+])=O.[Cl-].
What is the InChIKey of [(2R)-2-ethoxypropanoyl]azanium chloride?
The InChIKey is JOLUYQQPBGIBPK-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H2,6,7);1H/t4-;/m1./s1.
What are the key properties of [(2R)-2-ethoxypropanoyl]azanium chloride?
[(2R)-2-ethoxypropanoyl]azanium chloride has a molecular weight of 153.61 g/mol, XLogP of -3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethoxypropanoyl]azanium chloride is sourced from PubChem (CID 163361929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).