(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid

C17H25NO5 — CID 119364108

IUPAC(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
SMILESCCOCCOc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-4-22-9-10-23-15-8-6-5-7-13(15)16(19)18-14(17(20)21)11-12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySYCMDOCRYKUJMG-CQSZACIVSA-N
MW323.39 g/mol
LogP2.33
Rot. Bonds10

About (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119364108) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119364108
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
SMILESCCOCCOc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C17H25NO5/c1-4-22-9-10-23-15-8-6-5-7-13(15)16(19)18-14(17(20)21)11-12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySYCMDOCRYKUJMG-CQSZACIVSA-N
XLogP2.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.33
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

(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
CID 119237944
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
(2R)-2-[[2-(2-methoxyphenyl)benzoyl]amino]-4-methylpentanoic acid
CID 167810272
3-hydroxy-2-[[2-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 3102731
(2S)-4-amino-2-[(2-ethoxybenzoyl)amino]-4-oxobutanoic acid
CID 30120326
3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132
(2S)-2-[(2-ethoxybenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708981
2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
CID 119358857
N-[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78785278
(2R)-4-methyl-2-[(2-propan-2-ylsulfanylbenzoyl)amino]pentanoic acid
CID 119363699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid (CID 119364108) is (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid is CCOCCOc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is SYCMDOCRYKUJMG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO5/c1-4-22-9-10-23-15-8-6-5-7-13(15)16(19)18-14(17(20)21)11-12(2)3/h5-8,12,14H,4,9-11H2,1-3H3,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).