2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid

C17H19NO4 — CID 120543590

IUPAC2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
SMILESCCC(OC)C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-3-14(22-2)16(19)18-15(17(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCMDVGTQTXIVXLL-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid

2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid (PubChem CID 120543590) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid.

Molecular Properties

Compound Name2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
PubChem CID120543590
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid
SMILESCCC(OC)C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19NO4/c1-3-14(22-2)16(19)18-15(17(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyCMDVGTQTXIVXLL-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
2-(butanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543507
2-naphthalen-2-yl-2-(pentanoylamino)acetic acid
CID 120543531
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
(2S)-2-methoxy-N-[(1S)-1-naphthalen-2-ylpropyl]-2-phenylacetamide
CID 70094116
2-[2-(cyclopentanecarbonylamino)propanoylamino]-2-naphthalen-2-ylacetic acid
CID 120543509
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
2-[(2-tert-butylsulfanylacetyl)amino]-2-naphthalen-2-ylacetic acid
CID 120543464
2-naphthalen-2-ylbutanoic acid
CID 27266
2-naphthalen-2-yl-2-[(2-propan-2-ylsulfonylacetyl)amino]acetic acid
CID 120543546
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid?
The IUPAC name of 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid (CID 120543590) is 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid.
What is the SMILES notation for 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid?
The canonical SMILES for 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid is CCC(OC)C(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid?
The InChIKey is CMDVGTQTXIVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-14(22-2)16(19)18-15(17(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid?
2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid has a molecular weight of 301.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybutanoylamino)-2-naphthalen-2-ylacetic acid is sourced from PubChem (CID 120543590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).