(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid

C17H24N2O4 — CID 7166018

IUPAC(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
SMILESCCc1ccccc1NC(=O)C[C@@H](NC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-12-6-3-4-8-14(12)19-16(20)10-15(17(21)22)18-11-13-7-5-9-23-13/h3-4,6,8,13,15,18H,2,5,7,9-11H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m1/s1
InChIKeyKLEWRDJYEOFKRP-UKRRQHHQSA-N
MW320.39 g/mol
LogP1.80
Rot. Bonds8

About (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid

(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid (PubChem CID 7166018) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
PubChem CID7166018
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
SMILESCCc1ccccc1NC(=O)C[C@@H](NC[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-2-12-6-3-4-8-14(12)19-16(20)10-15(17(21)22)18-11-13-7-5-9-23-13/h3-4,6,8,13,15,18H,2,5,7,9-11H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m1/s1
InChIKeyKLEWRDJYEOFKRP-UKRRQHHQSA-N
XLogP1.80
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid with MolForge

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Related Compounds

(2R)-4-(4-ethylanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]butanoic acid
CID 7166006
(2R)-4-(4-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 830003
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
(2R)-4-(3-methylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 7165978
(2S)-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid
CID 30030430
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
N-(2-ethylphenyl)-2-[4-[[(2R)-oxan-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8773231
N-(2-ethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9218376
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid?
The IUPAC name of (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid (CID 7166018) is (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid.
What is the SMILES notation for (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid?
The canonical SMILES for (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid is CCc1ccccc1NC(=O)C[C@@H](NC[C@H]1CCCO1)C(=O)O.
What is the InChIKey of (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid?
The InChIKey is KLEWRDJYEOFKRP-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-12-6-3-4-8-14(12)19-16(20)10-15(17(21)22)18-11-13-7-5-9-23-13/h3-4,6,8,13,15,18H,2,5,7,9-11H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m1/s1.
What are the key properties of (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid?
(2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylamino]butanoic acid is sourced from PubChem (CID 7166018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).