3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid

C10H17NO4 — CID 115730548

IUPAC3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO4/c1-15-7-9(12)11(5-4-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyUBKQBXZLLFVERP-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.35
Rot. Bonds7

About 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid

3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid (PubChem CID 115730548) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid
PubChem CID115730548
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid
SMILESCOCC(=O)N(CCC(=O)O)CC1CC1
InChIInChI=1S/C10H17NO4/c1-15-7-9(12)11(5-4-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14)
InChIKeyUBKQBXZLLFVERP-UHFFFAOYSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid (CID 115730548) is 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid is COCC(=O)N(CCC(=O)O)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid?
The InChIKey is UBKQBXZLLFVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-7-9(12)11(5-4-10(13)14)6-8-2-3-8/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid?
3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-(2-methoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 115730548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).