(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate

C14H19NO4 — CID 2259475

IUPAC(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate
SMILESCCOc1ccc(C(=O)CC[NH2+][C@@H](C)C(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-3-19-12-6-4-11(5-7-12)13(16)8-9-15-10(2)14(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyCZNXKBQSMBKMMU-JTQLQIEISA-N
MW265.31 g/mol
LogP-0.64
Rot. Bonds8

About (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate

(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate (PubChem CID 2259475) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate.

Molecular Properties

Compound Name(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate
PubChem CID2259475
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate
SMILESCCOc1ccc(C(=O)CC[NH2+][C@@H](C)C(=O)[O-])cc1
InChIInChI=1S/C14H19NO4/c1-3-19-12-6-4-11(5-7-12)13(16)8-9-15-10(2)14(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyCZNXKBQSMBKMMU-JTQLQIEISA-N
XLogP-0.64
TPSA83.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[[3-oxo-3-(4-propoxyphenyl)propyl]azaniumyl]butanoate
CID 3684260
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]-3-phenylpropanoate
CID 3397998
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412755
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-(4-ethoxyphenyl)-3-methylpentan-1-one
CID 13257676
1-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
4-ethoxy-1-(4-ethoxyphenyl)butan-1-one
CID 105093941
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate?
The IUPAC name of (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate (CID 2259475) is (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate.
What is the SMILES notation for (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate?
The canonical SMILES for (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate is CCOc1ccc(C(=O)CC[NH2+][C@@H](C)C(=O)[O-])cc1.
What is the InChIKey of (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate?
The InChIKey is CZNXKBQSMBKMMU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-19-12-6-4-11(5-7-12)13(16)8-9-15-10(2)14(17)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate?
(2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate has a molecular weight of 265.31 g/mol, XLogP of -0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(4-ethoxyphenyl)-3-oxopropyl]azaniumyl]propanoate is sourced from PubChem (CID 2259475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).