methyl (2R)-2-(dimethylamino)propanoate

C6H13NO2 — CID 30030726

IUPACmethyl (2R)-2-(dimethylamino)propanoate
SMILESCOC(=O)[C@@H](C)N(C)C
InChIInChI=1S/C6H13NO2/c1-5(7(2)3)6(8)9-4/h5H,1-4H3/t5-/m1/s1
InChIKeyYQALCVILRBWLNX-RXMQYKEDSA-N
MW131.18 g/mol
LogP0.11
Rot. Bonds2

About methyl (2R)-2-(dimethylamino)propanoate

methyl (2R)-2-(dimethylamino)propanoate (PubChem CID 30030726) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl (2R)-2-(dimethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dimethylamino)propanoate
PubChem CID30030726
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl (2R)-2-(dimethylamino)propanoate
SMILESCOC(=O)[C@@H](C)N(C)C
InChIInChI=1S/C6H13NO2/c1-5(7(2)3)6(8)9-4/h5H,1-4H3/t5-/m1/s1
InChIKeyYQALCVILRBWLNX-RXMQYKEDSA-N
XLogP0.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine, N,N-dimethyl-, methyl ester
CID 81569
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CID 26610
(S)-2-(Methylamino)propanoic acid methyl ester
CID 11040900
Methylbetain
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alpha-N,N,N-Trimethylalanine
CID 78265175
Ammonium, (carboxymethyl)trimethyl-, iodide, methyl ester
CID 30906
1-Methyl-2-carbomethoxyaziridine
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1-Methoxycarbonylethylaziridine
CID 12687889
Methyl 2-(dimethylamino)propanoate
CID 15594675
Methyl 2-(dimethylamino)-2-methylpropanoate
CID 20652018
Methyl 2-[ethyl(methyl)amino]acetate
CID 22087921

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dimethylamino)propanoate?
The IUPAC name of methyl (2R)-2-(dimethylamino)propanoate (CID 30030726) is methyl (2R)-2-(dimethylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(dimethylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(dimethylamino)propanoate is COC(=O)[C@@H](C)N(C)C.
What is the InChIKey of methyl (2R)-2-(dimethylamino)propanoate?
The InChIKey is YQALCVILRBWLNX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7(2)3)6(8)9-4/h5H,1-4H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-(dimethylamino)propanoate?
methyl (2R)-2-(dimethylamino)propanoate has a molecular weight of 131.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dimethylamino)propanoate is sourced from PubChem (CID 30030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).