(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid

C16H16N2O4S — CID 143394412

IUPAC(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H16N2O4S/c17-15(21)11(6-9-14(19)20)18-16(22)13-8-7-12(23-13)10-4-2-1-3-5-10/h1-5,7-8,11H,6,9H2,(H2,17,21)(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyPPVKSYANZJNJMS-NSHDSACASA-N
MW332.38 g/mol
LogP1.86
Rot. Bonds7

About (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid

(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid (PubChem CID 143394412) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid
PubChem CID143394412
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid
SMILESNC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C16H16N2O4S/c17-15(21)11(6-9-14(19)20)18-16(22)13-8-7-12(23-13)10-4-2-1-3-5-10/h1-5,7-8,11H,6,9H2,(H2,17,21)(H,18,22)(H,19,20)/t11-/m0/s1
InChIKeyPPVKSYANZJNJMS-NSHDSACASA-N
XLogP1.86
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid?
The IUPAC name of (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid (CID 143394412) is (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid is NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid?
The InChIKey is PPVKSYANZJNJMS-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O4S/c17-15(21)11(6-9-14(19)20)18-16(22)13-8-7-12(23-13)10-4-2-1-3-5-10/h1-5,7-8,11H,6,9H2,(H2,17,21)(H,18,22)(H,19,20)/t11-/m0/s1.
What are the key properties of (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid?
(4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid has a molecular weight of 332.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-amino-5-oxo-4-[(5-phenylthiophene-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 143394412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).