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

C13H24N2O3 — CID 63859529

IUPAC2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)CC1CC1C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-15(13(3,4)11(16)17)12(18)14(5)8-10-7-9(10)2/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyZSENMWDJNQRQHK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds5

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

2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 63859529) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
PubChem CID63859529
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(C)CC1CC1C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-6-15(13(3,4)11(16)17)12(18)14(5)8-10-7-9(10)2/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyZSENMWDJNQRQHK-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid (CID 63859529) is 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(C)CC1CC1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is ZSENMWDJNQRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-15(13(3,4)11(16)17)12(18)14(5)8-10-7-9(10)2/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 63859529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).