5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid

C13H17NO3 — CID 40599656

IUPAC5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid
SMILESC[C@@H](NC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(16)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyFHYJUEYRHAKUMQ-SNVBAGLBSA-N
MW235.28 g/mol
LogP2.12
Rot. Bonds6

About 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid

5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid (PubChem CID 40599656) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid
PubChem CID40599656
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid
SMILESC[C@@H](NC(=O)CCCC(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(16)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyFHYJUEYRHAKUMQ-SNVBAGLBSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Phe-Gln
CID 11779156
N-Acetyl-DL-phenylglycine
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Npc317970
CID 558649
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CID 2827273
6-[(Benzylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 621132
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CID 2169806

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid (CID 40599656) is 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid is C[C@@H](NC(=O)CCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid?
The InChIKey is FHYJUEYRHAKUMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(11-6-3-2-4-7-11)14-12(15)8-5-9-13(16)17/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid?
5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid is sourced from PubChem (CID 40599656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).