3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid

C14H25NO4 — CID 56990247

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
SMILESCC(C)(C)OC(=O)NC1(CCC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(10-7-11(16)17)8-5-4-6-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUANZWVXYAMRWAD-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds4

About 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid

3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid (PubChem CID 56990247) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
PubChem CID56990247
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
SMILESCC(C)(C)OC(=O)NC1(CCC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(10-7-11(16)17)8-5-4-6-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyUANZWVXYAMRWAD-UHFFFAOYSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
CID 151766900
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid (CID 56990247) is 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid is CC(C)(C)OC(=O)NC1(CCC(=O)O)CCCCC1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
The InChIKey is UANZWVXYAMRWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-14(10-7-11(16)17)8-5-4-6-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid is sourced from PubChem (CID 56990247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).