4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid

C15H18N2O3 — CID 117438435

IUPAC4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C15H18N2O3/c16-13(5-6-14(18)19)9-1-2-10-8-17(11-3-4-11)15(20)12(10)7-9/h1-2,7,11,13H,3-6,8,16H2,(H,18,19)
InChIKeyMAWWTZMOZKJMIB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds5

About 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid

4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid (PubChem CID 117438435) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
PubChem CID117438435
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
SMILESNC(CCC(=O)O)c1ccc2c(c1)C(=O)N(C1CC1)C2
InChIInChI=1S/C15H18N2O3/c16-13(5-6-14(18)19)9-1-2-10-8-17(11-3-4-11)15(20)12(10)7-9/h1-2,7,11,13H,3-6,8,16H2,(H,18,19)
InChIKeyMAWWTZMOZKJMIB-UHFFFAOYSA-N
XLogP1.67
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid?
The IUPAC name of 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid (CID 117438435) is 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid is NC(CCC(=O)O)c1ccc2c(c1)C(=O)N(C1CC1)C2.
What is the InChIKey of 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid?
The InChIKey is MAWWTZMOZKJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c16-13(5-6-14(18)19)9-1-2-10-8-17(11-3-4-11)15(20)12(10)7-9/h1-2,7,11,13H,3-6,8,16H2,(H,18,19).
What are the key properties of 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid?
4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid is sourced from PubChem (CID 117438435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).