2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid

C11H19NO4 — CID 103555577

IUPAC2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid
SMILESCOC1(CC(=O)NC(C)(C)C(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-10(2,9(14)15)12-8(13)7-11(16-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySLNIOQGBFNUPCP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.93
Rot. Bonds5

About 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid

2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 103555577) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid
PubChem CID103555577
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid
SMILESCOC1(CC(=O)NC(C)(C)C(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-10(2,9(14)15)12-8(13)7-11(16-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13)(H,14,15)
InChIKeySLNIOQGBFNUPCP-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558267
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
N-(2-amino-2-oxoethoxy)-2-(1-methoxycyclobutyl)acetamide
CID 103526839
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716
(2R)-2-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbutanoic acid
CID 103555686
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
4-hydroxy-2-[[2-(1-methoxycyclobutyl)acetyl]amino]butanoic acid
CID 103555576
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
N-(3-hydroxycyclobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557188
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid (CID 103555577) is 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid is COC1(CC(=O)NC(C)(C)C(=O)O)CCC1.
What is the InChIKey of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is SLNIOQGBFNUPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,9(14)15)12-8(13)7-11(16-3)5-4-6-11/h4-7H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.93, 5 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]-2-methylpropanoic acid is sourced from PubChem (CID 103555577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).