ethyl (2S)-2-amino-3-(methylamino)propanoate

C6H14N2O2 — CID 59103878

IUPACethyl (2S)-2-amino-3-(methylamino)propanoate
SMILESCCOC(=O)[C@@H](N)CNC
InChIInChI=1S/C6H14N2O2/c1-3-10-6(9)5(7)4-8-2/h5,8H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyJUCCZRUZCWPNHL-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds4

About ethyl (2S)-2-amino-3-(methylamino)propanoate

ethyl (2S)-2-amino-3-(methylamino)propanoate (PubChem CID 59103878) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-(methylamino)propanoate
PubChem CID59103878
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameethyl (2S)-2-amino-3-(methylamino)propanoate
SMILESCCOC(=O)[C@@H](N)CNC
InChIInChI=1S/C6H14N2O2/c1-3-10-6(9)5(7)4-8-2/h5,8H,3-4,7H2,1-2H3/t5-/m0/s1
InChIKeyJUCCZRUZCWPNHL-YFKPBYRVSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylaminomethyl)butanoate
CID 23272258
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
CID 154776096
[(3R)-3-amino-4-ethoxy-4-oxobutyl]phosphonic acid
CID 95731877
2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
benzyl (2R)-2-amino-3-(methylamino)propanoate
CID 95383646
ethyl (2R)-2-amino-3-[[(2R)-2-amino-3-ethoxy-3-oxopropyl]disulfanyl]propanoate
CID 6993069
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426
ethyl 3-acetylsulfanyl-2-aminopropanoate
CID 78146596
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-(methylamino)propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-(methylamino)propanoate (CID 59103878) is ethyl (2S)-2-amino-3-(methylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-(methylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-(methylamino)propanoate is CCOC(=O)[C@@H](N)CNC.
What is the InChIKey of ethyl (2S)-2-amino-3-(methylamino)propanoate?
The InChIKey is JUCCZRUZCWPNHL-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-3-10-6(9)5(7)4-8-2/h5,8H,3-4,7H2,1-2H3/t5-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-(methylamino)propanoate?
ethyl (2S)-2-amino-3-(methylamino)propanoate has a molecular weight of 146.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-(methylamino)propanoate is sourced from PubChem (CID 59103878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).