2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid

C12H21N3O4 — CID 79846292

IUPAC2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-14(2)9(16)8-15(3)11(19)13-12(5-4-6-12)7-10(17)18/h4-8H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyNLFJUJLZVTWTDS-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.11
Rot. Bonds5

About 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid

2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid (PubChem CID 79846292) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
PubChem CID79846292
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
SMILESCN(C)C(=O)CN(C)C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H21N3O4/c1-14(2)9(16)8-15(3)11(19)13-12(5-4-6-12)7-10(17)18/h4-8H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyNLFJUJLZVTWTDS-UHFFFAOYSA-N
XLogP0.11
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087
2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 81057853
2-[1-(dipropylcarbamoylamino)cyclobutyl]acetic acid
CID 79845566
2-[1-[[2-methoxypropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 112754573
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-[1-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclopentyl]acetic acid
CID 64700888
2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64699572
2-[1-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79842467

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid (CID 79846292) is 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid is CN(C)C(=O)CN(C)C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid?
The InChIKey is NLFJUJLZVTWTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(2)9(16)8-15(3)11(19)13-12(5-4-6-12)7-10(17)18/h4-8H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid?
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).