3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid

C15H26N2O5 — CID 141435173

IUPAC3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)OC(C)(C)C)C1(NC(C)=O)CC(C(=O)O)C1
InChIInChI=1S/C15H26N2O5/c1-6-11(16-13(21)22-14(3,4)5)15(17-9(2)18)7-10(8-15)12(19)20/h10-11H,6-8H2,1-5H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyITXWFGXILQOKOS-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.66
Rot. Bonds5

About 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid

3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid (PubChem CID 141435173) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid
PubChem CID141435173
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid
SMILESCCC(NC(=O)OC(C)(C)C)C1(NC(C)=O)CC(C(=O)O)C1
InChIInChI=1S/C15H26N2O5/c1-6-11(16-13(21)22-14(3,4)5)15(17-9(2)18)7-10(8-15)12(19)20/h10-11H,6-8H2,1-5H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyITXWFGXILQOKOS-UHFFFAOYSA-N
XLogP1.66
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
(1S,3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 131042947
tert-butyl N-[3-hydroxy-1-(1-hydroxycyclopropyl)propyl]carbamate
CID 85230878
methyl 3-(1-acetamido-3-benzyloctyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 141435124
tert-butyl N-[(3S)-pent-1-yn-3-yl]carbamate
CID 58241875
1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-2-carboxylic acid
CID 169227999
(2R)-3-(1-bicyclo[1.1.1]pentanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170168089
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
S-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
CID 142747746
methyl 1-acetamido-3-(2-ethylbutyl)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 70183826

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid (CID 141435173) is 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid is CCC(NC(=O)OC(C)(C)C)C1(NC(C)=O)CC(C(=O)O)C1.
What is the InChIKey of 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid?
The InChIKey is ITXWFGXILQOKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-6-11(16-13(21)22-14(3,4)5)15(17-9(2)18)7-10(8-15)12(19)20/h10-11H,6-8H2,1-5H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid?
3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 141435173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).