1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

C13H22N2O4 — CID 113408093

IUPAC1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O4/c1-8(9(16)15-12(2,3)4)14-10(17)13(11(18)19)6-5-7-13/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyGMOIVUYDNHLHKW-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.66
Rot. Bonds4

About 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 113408093) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID113408093
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCC(NC(=O)C1(C(=O)O)CCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H22N2O4/c1-8(9(16)15-12(2,3)4)14-10(17)13(11(18)19)6-5-7-13/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyGMOIVUYDNHLHKW-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 55035123
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 3344892
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095418
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-cyanocyclohexane-1-carboxamide
CID 115595323
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 94820390
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 113266401
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
N-tert-butyl-2-[(1-ethylcyclobutyl)methylamino]propanamide
CID 113252651
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975742
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113408761

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (CID 113408093) is 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is CC(NC(=O)C1(C(=O)O)CCC1)C(=O)NC(C)(C)C.
What is the InChIKey of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is GMOIVUYDNHLHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(9(16)15-12(2,3)4)14-10(17)13(11(18)19)6-5-7-13/h8H,5-7H2,1-4H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).