2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid

C14H24N2O5 — CID 79842467

IUPAC2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCCOC(=O)CN(C(=O)NC1(CC(=O)O)CCC1)C(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-12(19)9-16(10(2)3)13(20)15-14(6-5-7-14)8-11(17)18/h10H,4-9H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyLKXVIXXZSXKXRY-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.37
Rot. Bonds7

About 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79842467) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79842467
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCCOC(=O)CN(C(=O)NC1(CC(=O)O)CCC1)C(C)C
InChIInChI=1S/C14H24N2O5/c1-4-21-12(19)9-16(10(2)3)13(20)15-14(6-5-7-14)8-11(17)18/h10H,4-9H2,1-3H3,(H,15,20)(H,17,18)
InChIKeyLKXVIXXZSXKXRY-UHFFFAOYSA-N
XLogP1.37
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846504
2-[1-[[propan-2-yl(propyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700453
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
3-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]butanoic acid
CID 55005606
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080
2-[1-[[ethyl(2-methylpropyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79845178
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
2-[1-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842228
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclopentyl]acetic acid
CID 64700888

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid (CID 79842467) is 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid is CCOC(=O)CN(C(=O)NC1(CC(=O)O)CCC1)C(C)C.
What is the InChIKey of 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is LKXVIXXZSXKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-21-12(19)9-16(10(2)3)13(20)15-14(6-5-7-14)8-11(17)18/h10H,4-9H2,1-3H3,(H,15,20)(H,17,18).
What are the key properties of 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 300.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).