2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid

C20H23NO5 — CID 120548031

IUPAC2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1ccc2cccc(CC(=O)NC(C(=O)O)C3CCCOC3)c2c1
InChIInChI=1S/C20H23NO5/c1-25-16-8-7-13-4-2-5-14(17(13)11-16)10-18(22)21-19(20(23)24)15-6-3-9-26-12-15/h2,4-5,7-8,11,15,19H,3,6,9-10,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMHRMPZHKKIWDFN-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.39
Rot. Bonds6

About 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid

2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548031) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548031
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid
SMILESCOc1ccc2cccc(CC(=O)NC(C(=O)O)C3CCCOC3)c2c1
InChIInChI=1S/C20H23NO5/c1-25-16-8-7-13-4-2-5-14(17(13)11-16)10-18(22)21-19(20(23)24)15-6-3-9-26-12-15/h2,4-5,7-8,11,15,19H,3,6,9-10,12H2,1H3,(H,21,22)(H,23,24)
InChIKeyMHRMPZHKKIWDFN-UHFFFAOYSA-N
XLogP2.39
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
3-cyclopropyl-2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120535790
2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
CID 120549107
N-(2-cyclopentyl-2-hydroxyethyl)-2-(7-methoxynaphthalen-1-yl)acetamide
CID 109380188
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547485
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid (CID 120548031) is 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid is COc1ccc2cccc(CC(=O)NC(C(=O)O)C3CCCOC3)c2c1.
What is the InChIKey of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is MHRMPZHKKIWDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-16-8-7-13-4-2-5-14(17(13)11-16)10-18(22)21-19(20(23)24)15-6-3-9-26-12-15/h2,4-5,7-8,11,15,19H,3,6,9-10,12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid?
2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 357.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).