(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid

C20H24N2O4 — CID 24901620

IUPAC(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24N2O4/c21-18(20(24)25)12-13-19(23)22-16-8-10-17(11-9-16)26-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyNFTAKLODMXBWJT-SFHVURJKSA-N
MW356.42 g/mol
LogP2.83
Rot. Bonds10

About (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid

(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid (PubChem CID 24901620) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid
PubChem CID24901620
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H24N2O4/c21-18(20(24)25)12-13-19(23)22-16-8-10-17(11-9-16)26-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyNFTAKLODMXBWJT-SFHVURJKSA-N
XLogP2.83
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid (CID 24901620) is (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid is N[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid?
The InChIKey is NFTAKLODMXBWJT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O4/c21-18(20(24)25)12-13-19(23)22-16-8-10-17(11-9-16)26-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14,21H2,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid?
(2S)-2-amino-5-oxo-5-[4-(3-phenylpropoxy)anilino]pentanoic acid has a molecular weight of 356.42 g/mol, XLogP of 2.83, 10 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-(3-phenylpropoxy)anilino]pentanoic acid is sourced from PubChem (CID 24901620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).