methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid

C9H18N2O2 — CID 68805154

IUPACmethyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
SMILESCC(C)NC1CC(N(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-7-4-8(5-7)11(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyWFTJXMMWYSXUPH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds3

About methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid

methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid (PubChem CID 68805154) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
PubChem CID68805154
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid
SMILESCC(C)NC1CC(N(C)C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)10-7-4-8(5-7)11(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyWFTJXMMWYSXUPH-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid?
The IUPAC name of methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid (CID 68805154) is methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid.
What is the SMILES notation for methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid?
The canonical SMILES for methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid is CC(C)NC1CC(N(C)C(=O)O)C1.
What is the InChIKey of methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid?
The InChIKey is WFTJXMMWYSXUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)10-7-4-8(5-7)11(3)9(12)13/h6-8,10H,4-5H2,1-3H3,(H,12,13).
What are the key properties of methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid?
methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(propan-2-ylamino)cyclobutyl]carbamic acid is sourced from PubChem (CID 68805154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).