propan-2-yl 3-aminopropanoate;hydrochloride

C6H14ClNO2 — CID 42920716

IUPACpropan-2-yl 3-aminopropanoate;hydrochloride
SMILESCC(C)OC(=O)CCN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2)9-6(8)3-4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyZFJJVRUMTOXLAG-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.71
Rot. Bonds3

About propan-2-yl 3-aminopropanoate;hydrochloride

propan-2-yl 3-aminopropanoate;hydrochloride (PubChem CID 42920716) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is propan-2-yl 3-aminopropanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 3-aminopropanoate;hydrochloride
PubChem CID42920716
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Namepropan-2-yl 3-aminopropanoate;hydrochloride
SMILESCC(C)OC(=O)CCN.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-5(2)9-6(8)3-4-7;/h5H,3-4,7H2,1-2H3;1H
InChIKeyZFJJVRUMTOXLAG-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Alanine, ethyl ester, hydrochloride
CID 458475
Ethyl 3-aminopropanoate
CID 419889
Methyl 3-aminopropanoate hydrochloride
CID 2734767
Methyl beta-alanate
CID 192794
Tert-butyl 3-aminopropanoate hydrochloride
CID 16218890
(3-Ethoxy-3-oxopropyl)azanium chloride
CID 10855676
Ethyl 3-amino-2-methylpropanoate hydrochloride
CID 19611788
Ethyl 3-(methylamino)propanoate hydrochloride
CID 22629233
(S)-Ethyl 3-aminobutanoate hydrochloride
CID 42614517
Propan-2-yl 3-amino-2-methylpropanoate hydrochloride
CID 54595850
Ethyl 3-aminobutanoate hydrochloride
CID 74821439
Ethyl 3-amino-2-methylpropanoate
CID 11182624

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-aminopropanoate;hydrochloride?
The IUPAC name of propan-2-yl 3-aminopropanoate;hydrochloride (CID 42920716) is propan-2-yl 3-aminopropanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 3-aminopropanoate;hydrochloride?
The canonical SMILES for propan-2-yl 3-aminopropanoate;hydrochloride is CC(C)OC(=O)CCN.Cl.
What is the InChIKey of propan-2-yl 3-aminopropanoate;hydrochloride?
The InChIKey is ZFJJVRUMTOXLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-5(2)9-6(8)3-4-7;/h5H,3-4,7H2,1-2H3;1H.
What are the key properties of propan-2-yl 3-aminopropanoate;hydrochloride?
propan-2-yl 3-aminopropanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-aminopropanoate;hydrochloride is sourced from PubChem (CID 42920716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).