2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid

C14H25N3O4 — CID 115431044

IUPAC2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N(C)CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-14(5-2,12(19)20)9-15-13(21)17(3)8-11(18)16-10-6-7-10/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyOSZBUYSDXJVJOA-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds8

About 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid

2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 115431044) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID115431044
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N(C)CC(=O)NC1CC1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-14(5-2,12(19)20)9-15-13(21)17(3)8-11(18)16-10-6-7-10/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyOSZBUYSDXJVJOA-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid (CID 115431044) is 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)N(C)CC(=O)NC1CC1)C(=O)O.
What is the InChIKey of 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is OSZBUYSDXJVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-14(5-2,12(19)20)9-15-13(21)17(3)8-11(18)16-10-6-7-10/h10H,4-9H2,1-3H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 115431044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).