ethyl (2S)-2-(2-ethoxyethylamino)propanoate

C9H19NO3 — CID 88726187

IUPACethyl (2S)-2-(2-ethoxyethylamino)propanoate
SMILESCCOCCN[C@@H](C)C(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-12-7-6-10-8(3)9(11)13-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyOUNXISYWSISJEQ-QMMMGPOBSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds7

About ethyl (2S)-2-(2-ethoxyethylamino)propanoate

ethyl (2S)-2-(2-ethoxyethylamino)propanoate (PubChem CID 88726187) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl (2S)-2-(2-ethoxyethylamino)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-ethoxyethylamino)propanoate
PubChem CID88726187
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl (2S)-2-(2-ethoxyethylamino)propanoate
SMILESCCOCCN[C@@H](C)C(=O)OCC
InChIInChI=1S/C9H19NO3/c1-4-12-7-6-10-8(3)9(11)13-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyOUNXISYWSISJEQ-QMMMGPOBSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
ethyl 2-(2-ethoxyethylamino)butanoate
CID 64668942
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
CID 172703702
CID 172703702
ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
ethyl 2-(heptylamino)propanoate
CID 61498650
ethyl 2-(hexylamino)propanoate
CID 13388952
ethyl (2R)-2-(3-chloropropylamino)propanoate
CID 58382925
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-ethoxyethylamino)propanoate?
The IUPAC name of ethyl (2S)-2-(2-ethoxyethylamino)propanoate (CID 88726187) is ethyl (2S)-2-(2-ethoxyethylamino)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-ethoxyethylamino)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-ethoxyethylamino)propanoate is CCOCCN[C@@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-(2-ethoxyethylamino)propanoate?
The InChIKey is OUNXISYWSISJEQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-12-7-6-10-8(3)9(11)13-5-2/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-ethoxyethylamino)propanoate?
ethyl (2S)-2-(2-ethoxyethylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-ethoxyethylamino)propanoate is sourced from PubChem (CID 88726187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).