3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid

C14H26N2O3 — CID 82002983

IUPAC3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
SMILESCCC(C)CN(CC)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)9-16(5-2)14(19)15-12(8-13(17)18)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUKMXWTOBIFLNRK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds8

About 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid

3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid (PubChem CID 82002983) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
PubChem CID82002983
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid
SMILESCCC(C)CN(CC)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-4-10(3)9-16(5-2)14(19)15-12(8-13(17)18)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyUKMXWTOBIFLNRK-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid (CID 82002983) is 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid is CCC(C)CN(CC)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid?
The InChIKey is UKMXWTOBIFLNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10(3)9-16(5-2)14(19)15-12(8-13(17)18)11-6-7-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid?
3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[ethyl(2-methylbutyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82002983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).