2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid

C13H19NO3 — CID 119213587

IUPAC2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCCC2)C1CC1
InChIInChI=1S/C13H19NO3/c15-11(9-7-13(9)5-1-2-6-13)14-10(12(16)17)8-3-4-8/h8-10H,1-7H2,(H,14,15)(H,16,17)
InChIKeyWBQRPUAVYJWWJG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds4

About 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid

2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid (PubChem CID 119213587) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
PubChem CID119213587
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
SMILESO=C(O)C(NC(=O)C1CC12CCCC2)C1CC1
InChIInChI=1S/C13H19NO3/c15-11(9-7-13(9)5-1-2-6-13)14-10(12(16)17)8-3-4-8/h8-10H,1-7H2,(H,14,15)(H,16,17)
InChIKeyWBQRPUAVYJWWJG-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid (CID 119213587) is 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid is O=C(O)C(NC(=O)C1CC12CCCC2)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
The InChIKey is WBQRPUAVYJWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-11(9-7-13(9)5-1-2-6-13)14-10(12(16)17)8-3-4-8/h8-10H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid?
2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid is sourced from PubChem (CID 119213587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).