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

C11H18NO4- — CID 22397312

IUPAC3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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)/p-1
InChIKeyFQUYVRWUCMVXMR-UHFFFAOYSA-M
MW228.27 g/mol
LogP0.53
Rot. Bonds4

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

3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 22397312) has the molecular formula C11H18NO4- and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Name3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID22397312
Molecular FormulaC11H18NO4-
Molecular Weight228.27 g/mol
Exact Mass228.12
IUPAC Name3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
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)/p-1
InChIKeyFQUYVRWUCMVXMR-UHFFFAOYSA-M
XLogP0.53
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 22397312) is 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is CC(C)(C)OC(=O)N(CCC(=O)[O-])C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is FQUYVRWUCMVXMR-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 228.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 22397312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).