methyl (2S)-2-amino-3-(dimethylamino)propanoate

C6H14N2O2 — CID 45088090

IUPACmethyl (2S)-2-amino-3-(dimethylamino)propanoate
SMILESCOC(=O)[C@@H](N)CN(C)C
InChIInChI=1S/C6H14N2O2/c1-8(2)4-5(7)6(9)10-3/h5H,4,7H2,1-3H3/t5-/m0/s1
InChIKeyPYNXDJSBDJANAG-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.95
Rot. Bonds3

About methyl (2S)-2-amino-3-(dimethylamino)propanoate

methyl (2S)-2-amino-3-(dimethylamino)propanoate (PubChem CID 45088090) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(dimethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(dimethylamino)propanoate
PubChem CID45088090
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl (2S)-2-amino-3-(dimethylamino)propanoate
SMILESCOC(=O)[C@@H](N)CN(C)C
InChIInChI=1S/C6H14N2O2/c1-8(2)4-5(7)6(9)10-3/h5H,4,7H2,1-3H3/t5-/m0/s1
InChIKeyPYNXDJSBDJANAG-YFKPBYRVSA-N
XLogP-0.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(dimethylamino)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(dimethylamino)propanoate (CID 45088090) is methyl (2S)-2-amino-3-(dimethylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(dimethylamino)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(dimethylamino)propanoate is COC(=O)[C@@H](N)CN(C)C.
What is the InChIKey of methyl (2S)-2-amino-3-(dimethylamino)propanoate?
The InChIKey is PYNXDJSBDJANAG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8(2)4-5(7)6(9)10-3/h5H,4,7H2,1-3H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(dimethylamino)propanoate?
methyl (2S)-2-amino-3-(dimethylamino)propanoate has a molecular weight of 146.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(dimethylamino)propanoate is sourced from PubChem (CID 45088090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).