2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid

C15H28N2O3 — CID 62821662

IUPAC2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)C1CCC(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-17(15(3,4)13(18)19)14(20)16(5)12-9-7-11(2)8-10-12/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyLAAGNXDMWYCCLN-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.80
Rot. Bonds4

About 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62821662) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62821662
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)C1CCC(C)CC1)C(C)(C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-6-17(15(3,4)13(18)19)14(20)16(5)12-9-7-11(2)8-10-12/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyLAAGNXDMWYCCLN-UHFFFAOYSA-N
XLogP2.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
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-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62821662) is 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(C)C1CCC(C)CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is LAAGNXDMWYCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-17(15(3,4)13(18)19)14(20)16(5)12-9-7-11(2)8-10-12/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).