ethyl (2R)-2-(methylamino)propanoate;hydrochloride

C6H14ClNO2 — CID 138987649

IUPACethyl (2R)-2-(methylamino)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](C)NC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5(2)7-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1
InChIKeyONRCQWWOUUVQMT-NUBCRITNSA-N
MW167.64 g/mol
LogP0.58
Rot. Bonds3

About ethyl (2R)-2-(methylamino)propanoate;hydrochloride

ethyl (2R)-2-(methylamino)propanoate;hydrochloride (PubChem CID 138987649) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is ethyl (2R)-2-(methylamino)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-2-(methylamino)propanoate;hydrochloride
PubChem CID138987649
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Nameethyl (2R)-2-(methylamino)propanoate;hydrochloride
SMILESCCOC(=O)[C@@H](C)NC.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5(2)7-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1
InChIKeyONRCQWWOUUVQMT-NUBCRITNSA-N
XLogP0.58
TPSA38.33 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propane;propyl (2S)-2-(methylamino)propanoate
CID 171562611
ethyl 2-(fluoroamino)propanoate
CID 89108988
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
CID 172703702
CID 172703702
ethyl (2S)-2-acetamidopropanoate
CID 11805045
sodium;dodecyl (2S)-2-(methylamino)propanoate;hydride
CID 175427051
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
amino (2S)-2-(methylamino)propanoate
CID 23546966
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
ethyl 2-[[1-(hydroxymethyl)cyclopentyl]amino]propanoate
CID 62518465

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(methylamino)propanoate;hydrochloride?
The IUPAC name of ethyl (2R)-2-(methylamino)propanoate;hydrochloride (CID 138987649) is ethyl (2R)-2-(methylamino)propanoate;hydrochloride.
What is the SMILES notation for ethyl (2R)-2-(methylamino)propanoate;hydrochloride?
The canonical SMILES for ethyl (2R)-2-(methylamino)propanoate;hydrochloride is CCOC(=O)[C@@H](C)NC.Cl.
What is the InChIKey of ethyl (2R)-2-(methylamino)propanoate;hydrochloride?
The InChIKey is ONRCQWWOUUVQMT-NUBCRITNSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4-9-6(8)5(2)7-3;/h5,7H,4H2,1-3H3;1H/t5-;/m1./s1.
What are the key properties of ethyl (2R)-2-(methylamino)propanoate;hydrochloride?
ethyl (2R)-2-(methylamino)propanoate;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(methylamino)propanoate;hydrochloride is sourced from PubChem (CID 138987649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).