(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid

C19H22N2O4 — CID 24901619

IUPAC(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c20-17(19(23)24)10-11-18(22)21-15-6-8-16(9-7-15)25-13-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyLXNLZSBSUTWVJA-KRWDZBQOSA-N
MW342.40 g/mol
LogP2.44
Rot. Bonds9

About (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid

(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid (PubChem CID 24901619) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid
PubChem CID24901619
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H22N2O4/c20-17(19(23)24)10-11-18(22)21-15-6-8-16(9-7-15)25-13-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,21,22)(H,23,24)/t17-/m0/s1
InChIKeyLXNLZSBSUTWVJA-KRWDZBQOSA-N
XLogP2.44
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid (CID 24901619) is (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid is N[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid?
The InChIKey is LXNLZSBSUTWVJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O4/c20-17(19(23)24)10-11-18(22)21-15-6-8-16(9-7-15)25-13-12-14-4-2-1-3-5-14/h1-9,17H,10-13,20H2,(H,21,22)(H,23,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid?
(2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid has a molecular weight of 342.40 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-[4-(2-phenylethoxy)anilino]pentanoic acid is sourced from PubChem (CID 24901619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).