(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid

C13H18N2O4 — CID 83193372

IUPAC(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCOc1ccc(NC(=O)CN[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)15-12(16)8-14-9(2)13(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyNNSDWXVSYHQTBP-VIFPVBQESA-N
MW266.30 g/mol
LogP1.09
Rot. Bonds7

About (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid

(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83193372) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID83193372
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid
SMILESCCOc1ccc(NC(=O)CN[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)15-12(16)8-14-9(2)13(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)(H,17,18)/t9-/m0/s1
InChIKeyNNSDWXVSYHQTBP-VIFPVBQESA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]propanoic acid
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2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
2-[(4-ethoxyphenyl)methylamino]propanoic acid
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CID 14130
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379
N-[4-(2-ethoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817765
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
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(2S)-2-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 81425570

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid (CID 83193372) is (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid is CCOc1ccc(NC(=O)CN[C@@H](C)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is NNSDWXVSYHQTBP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-11-6-4-10(5-7-11)15-12(16)8-14-9(2)13(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid?
(2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83193372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).