methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid

C14H20N2O2 — CID 175156144

IUPACmethyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid
SMILESCN(C(=O)O)C(C)(C)CC1(c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-13(2,16(3)12(17)18)10-14(6-7-14)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyLIDOFLRBIOUIED-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.89
Rot. Bonds4

About methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid

methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid (PubChem CID 175156144) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid
PubChem CID175156144
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid
SMILESCN(C(=O)O)C(C)(C)CC1(c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-13(2,16(3)12(17)18)10-14(6-7-14)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18)
InChIKeyLIDOFLRBIOUIED-UHFFFAOYSA-N
XLogP2.89
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid?
The IUPAC name of methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid (CID 175156144) is methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid.
What is the SMILES notation for methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid?
The canonical SMILES for methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid is CN(C(=O)O)C(C)(C)CC1(c2cccnc2)CC1.
What is the InChIKey of methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid?
The InChIKey is LIDOFLRBIOUIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2,16(3)12(17)18)10-14(6-7-14)11-5-4-8-15-9-11/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,18).
What are the key properties of methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid?
methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid has a molecular weight of 248.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-methyl-1-(1-pyridin-3-ylcyclopropyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 175156144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).