6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid

C15H21NO4 — CID 62034774

IUPAC6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
SMILESCOC(C(=O)NCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-20-14(12-8-4-2-5-9-12)15(19)16-11-7-3-6-10-13(17)18/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyYOVRCBUCIAIHAP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.14
Rot. Bonds9

About 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid

6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid (PubChem CID 62034774) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
PubChem CID62034774
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
SMILESCOC(C(=O)NCCCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-20-14(12-8-4-2-5-9-12)15(19)16-11-7-3-6-10-13(17)18/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyYOVRCBUCIAIHAP-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
N-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
CID 106308008
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
4-[[(2R)-2-methoxy-2-phenylacetyl]amino]-3-methylbutanoic acid
CID 120689719
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid (CID 62034774) is 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid is COC(C(=O)NCCCCCC(=O)O)c1ccccc1.
What is the InChIKey of 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid?
The InChIKey is YOVRCBUCIAIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-14(12-8-4-2-5-9-12)15(19)16-11-7-3-6-10-13(17)18/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid?
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid is sourced from PubChem (CID 62034774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).