(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid

C18H20N2O4 — CID 24901600

IUPAC(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c19-16(10-11-17(21)22)18(23)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyIYYBWKOXCQKLHX-INIZCTEOSA-N
MW328.37 g/mol
LogP2.40
Rot. Bonds8

About (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid

(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid (PubChem CID 24901600) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
PubChem CID24901600
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c19-16(10-11-17(21)22)18(23)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyIYYBWKOXCQKLHX-INIZCTEOSA-N
XLogP2.40
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid (CID 24901600) is (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid is N[C@@H](CCC(=O)O)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
The InChIKey is IYYBWKOXCQKLHX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4/c19-16(10-11-17(21)22)18(23)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid?
(4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid has a molecular weight of 328.37 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid is sourced from PubChem (CID 24901600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).