1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

C11H20N2O3 — CID 81168087

IUPAC1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)N(C)C(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(3)9(14)7-12-11(10(15)16)5-4-6-11/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyPQRXATSMEPNJBU-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid

1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81168087) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81168087
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
SMILESCC(C)N(C)C(=O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(3)9(14)7-12-11(10(15)16)5-4-6-11/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyPQRXATSMEPNJBU-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(N-methylanilino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167198
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
1-[[2-(5-methylhexan-2-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167638
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
1-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81166939
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167795

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid (CID 81168087) is 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is CC(C)N(C)C(=O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is PQRXATSMEPNJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13(3)9(14)7-12-11(10(15)16)5-4-6-11/h8,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81168087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).