1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C12H19NO4 — CID 81158596

IUPAC1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC1CCCCO1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO4/c14-10(8-9-4-1-2-7-17-9)13-12(11(15)16)5-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyBJEQICRFAZPZQY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.07
Rot. Bonds4

About 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81158596) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81158596
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC1CCCCO1)NC1(C(=O)O)CCC1
InChIInChI=1S/C12H19NO4/c14-10(8-9-4-1-2-7-17-9)13-12(11(15)16)5-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyBJEQICRFAZPZQY-UHFFFAOYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[2-[(2S)-oxan-2-yl]acetyl]amino]thiolane-3-carboxylic acid
CID 124517285
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
1-[(2-morpholin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66426381
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167545
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
4-methyl-1-[[[2-(oxan-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115440948
N-(1-carbamothioyl-4-methylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 65156767
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
CID 114314002

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81158596) is 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(CC1CCCCO1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is BJEQICRFAZPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10(8-9-4-1-2-7-17-9)13-12(11(15)16)5-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16).
What are the key properties of 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81158596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).