2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid

C21H25NO4 — CID 120687757

IUPAC2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCOC1(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)CCC1
InChIInChI=1S/C21H25NO4/c1-26-21(9-4-10-21)13-19(23)22-14-18(20(24)25)12-15-7-8-16-5-2-3-6-17(16)11-15/h2-3,5-8,11,18H,4,9-10,12-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyOFYXGPUUJLCPAW-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.16
Rot. Bonds8

About 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid

2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid (PubChem CID 120687757) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
PubChem CID120687757
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
SMILESCOC1(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)CCC1
InChIInChI=1S/C21H25NO4/c1-26-21(9-4-10-21)13-19(23)22-14-18(20(24)25)12-15-7-8-16-5-2-3-6-17(16)11-15/h2-3,5-8,11,18H,4,9-10,12-14H2,1H3,(H,22,23)(H,24,25)
InChIKeyOFYXGPUUJLCPAW-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-(naphthalen-2-ylmethyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119245416
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
2-[2-chloro-3-(1-methoxycyclobutyl)propyl]naphthalene
CID 103558104
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
(2R)-2-[(furan-3-carbonylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 97324644
2-[[(2-acetamido-2-cyclopentylacetyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245450
2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756
2-(naphthalen-2-ylmethyl)-3-(thiane-4-carbonylamino)propanoic acid
CID 120527148
2-(naphthalen-2-ylmethyl)-3-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]propanoic acid
CID 155950289

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid (CID 120687757) is 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid is COC1(CC(=O)NCC(Cc2ccc3ccccc3c2)C(=O)O)CCC1.
What is the InChIKey of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
The InChIKey is OFYXGPUUJLCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-26-21(9-4-10-21)13-19(23)22-14-18(20(24)25)12-15-7-8-16-5-2-3-6-17(16)11-15/h2-3,5-8,11,18H,4,9-10,12-14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid?
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid has a molecular weight of 355.43 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 120687757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).