2-formamido-6-phenylhexanoic acid

C13H17NO3 — CID 114333732

IUPAC2-formamido-6-phenylhexanoic acid
SMILESO=CNC(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO3/c15-10-14-12(13(16)17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,14,15)(H,16,17)
InChIKeyWMPUZDKYVWZAGR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds8

About 2-formamido-6-phenylhexanoic acid

2-formamido-6-phenylhexanoic acid (PubChem CID 114333732) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-formamido-6-phenylhexanoic acid.

Molecular Properties

Compound Name2-formamido-6-phenylhexanoic acid
PubChem CID114333732
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-formamido-6-phenylhexanoic acid
SMILESO=CNC(CCCCc1ccccc1)C(=O)O
InChIInChI=1S/C13H17NO3/c15-10-14-12(13(16)17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,14,15)(H,16,17)
InChIKeyWMPUZDKYVWZAGR-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-formamido-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 13341253
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-amino-7-phenylheptanoic acid
CID 85132413
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023
fermium;2-(oxomethylamino)-5-phenylpentanoic acid
CID 166481787
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
2-[[2-[[(2S)-2-formamido-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 156569259
(2S)-6-amino-2-[[(1R)-1-carboxy-3-phenylpropyl]amino]hexanoic acid
CID 71314526
2-nitroso-6-phenylhexanoic acid
CID 57068529
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
methyl 2-amino-6-phenylhexanoate
CID 76830671

Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-phenylhexanoic acid?
The IUPAC name of 2-formamido-6-phenylhexanoic acid (CID 114333732) is 2-formamido-6-phenylhexanoic acid.
What is the SMILES notation for 2-formamido-6-phenylhexanoic acid?
The canonical SMILES for 2-formamido-6-phenylhexanoic acid is O=CNC(CCCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-formamido-6-phenylhexanoic acid?
The InChIKey is WMPUZDKYVWZAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-14-12(13(16)17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10,12H,4-5,8-9H2,(H,14,15)(H,16,17).
What are the key properties of 2-formamido-6-phenylhexanoic acid?
2-formamido-6-phenylhexanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-phenylhexanoic acid is sourced from PubChem (CID 114333732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).