2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid

C16H28N2O3 — CID 65241050

IUPAC2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid
SMILESCC1CC1CN(C)C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12-9-13(12)11-17(2)15(21)18(3)16(10-14(19)20)7-5-4-6-8-16/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyHCSNBZARJHUOIW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid (PubChem CID 65241050) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid
PubChem CID65241050
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid
SMILESCC1CC1CN(C)C(=O)N(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H28N2O3/c1-12-9-13(12)11-17(2)15(21)18(3)16(10-14(19)20)7-5-4-6-8-16/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyHCSNBZARJHUOIW-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid (CID 65241050) is 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid is CC1CC1CN(C)C(=O)N(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid?
The InChIKey is HCSNBZARJHUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12-9-13(12)11-17(2)15(21)18(3)16(10-14(19)20)7-5-4-6-8-16/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65241050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).