3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid

C11H19NO5 — CID 164510767

IUPAC3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCC=O)CCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(6-4-8-13)7-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyUQLYUKYSVFJPHH-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.29
Rot. Bonds6

About 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid

3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid (PubChem CID 164510767) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid
PubChem CID164510767
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCC=O)CCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(6-4-8-13)7-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyUQLYUKYSVFJPHH-UHFFFAOYSA-N
XLogP1.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid (CID 164510767) is 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid is CC(C)(C)OC(=O)N(CCC=O)CCC(=O)O.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid?
The InChIKey is UQLYUKYSVFJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12(6-4-8-13)7-5-9(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid?
3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid has a molecular weight of 245.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 164510767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).