(2S)-2-amino-5-anilino-5-oxopentanoic acid

C11H14N2O3 — CID 18603770

IUPAC(2S)-2-amino-5-anilino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyVMNRUJGOLBSEPK-VIFPVBQESA-N
MW222.24 g/mol
LogP0.82
Rot. Bonds5

About (2S)-2-amino-5-anilino-5-oxopentanoic acid

(2S)-2-amino-5-anilino-5-oxopentanoic acid (PubChem CID 18603770) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (2S)-2-amino-5-anilino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-anilino-5-oxopentanoic acid
PubChem CID18603770
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-amino-5-anilino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)Nc1ccccc1)C(=O)O
InChIInChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKeyVMNRUJGOLBSEPK-VIFPVBQESA-N
XLogP0.82
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-anilino-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-anilino-5-oxopentanoic acid (CID 18603770) is (2S)-2-amino-5-anilino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-anilino-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-anilino-5-oxopentanoic acid is N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-anilino-5-oxopentanoic acid?
The InChIKey is VMNRUJGOLBSEPK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-anilino-5-oxopentanoic acid?
(2S)-2-amino-5-anilino-5-oxopentanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-anilino-5-oxopentanoic acid is sourced from PubChem (CID 18603770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).