2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid

C14H25NO4 — CID 146204300

IUPAC2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
SMILESCC(CCC1(NC(=O)OC(C)(C)C)CCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(11(16)17)6-9-14(7-5-8-14)15-12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYJUHFSLPLQDSJX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid

2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid (PubChem CID 146204300) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
PubChem CID146204300
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
SMILESCC(CCC1(NC(=O)OC(C)(C)C)CCC1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(11(16)17)6-9-14(7-5-8-14)15-12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyYJUHFSLPLQDSJX-UHFFFAOYSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
(E)-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-2-enoic acid
CID 10729698
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid?
The IUPAC name of 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid (CID 146204300) is 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid.
What is the SMILES notation for 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid?
The canonical SMILES for 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid is CC(CCC1(NC(=O)OC(C)(C)C)CCC1)C(=O)O.
What is the InChIKey of 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid?
The InChIKey is YJUHFSLPLQDSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(11(16)17)6-9-14(7-5-8-14)15-12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid?
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid is sourced from PubChem (CID 146204300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).