3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid

C11H19NO4 — CID 103018270

IUPAC3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
SMILESCOC(C)(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-11(2,16-3)10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyNWOFPOUQAMVYFO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds6

About 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid

3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid (PubChem CID 103018270) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
PubChem CID103018270
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
SMILESCOC(C)(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19NO4/c1-11(2,16-3)10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyNWOFPOUQAMVYFO-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid (CID 103018270) is 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid is COC(C)(C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid?
The InChIKey is NWOFPOUQAMVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,16-3)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-methoxy-2-methylpropanoyl)amino]propanoic acid?
3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 103018270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).