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

C11H19NO4 — CID 22397313

IUPAC3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFQUYVRWUCMVXMR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds4

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

3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 22397313) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID22397313
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyFQUYVRWUCMVXMR-UHFFFAOYSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 22397313) is 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(C)(C)OC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is FQUYVRWUCMVXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 22397313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).