(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid

C14H19NO5 — CID 119237944

IUPAC(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
SMILESCCOCCOc1ccccc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-3-19-8-9-20-12-7-5-4-6-11(12)13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyWQHGRLRWMQEINO-JTQLQIEISA-N
MW281.31 g/mol
LogP1.30
Rot. Bonds8

About (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid

(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid (PubChem CID 119237944) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
PubChem CID119237944
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
SMILESCCOCCOc1ccccc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-3-19-8-9-20-12-7-5-4-6-11(12)13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyWQHGRLRWMQEINO-JTQLQIEISA-N
XLogP1.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
CID 119358857
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
2-(2-ethoxyethoxy)-N-(2-fluorophenyl)benzamide
CID 17122747
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165428
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-(2-ethoxyethoxy)-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17123104
N-[4-[[[2-(2-ethoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17122839
2-ethoxy-N-[(2R)-pentan-2-yl]benzamide
CID 1234495
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid (CID 119237944) is (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid is CCOCCOc1ccccc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid?
The InChIKey is WQHGRLRWMQEINO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-19-8-9-20-12-7-5-4-6-11(12)13(16)15-10(2)14(17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid?
(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119237944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).