(cyclopropanecarbonylamino) acetate

C6H9NO3 — CID 87271994

IUPAC(cyclopropanecarbonylamino) acetate
SMILESCC(=O)ONC(=O)C1CC1
InChIInChI=1S/C6H9NO3/c1-4(8)10-7-6(9)5-2-3-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyDZUSFRXWNFDZAM-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.01
Rot. Bonds1

About (cyclopropanecarbonylamino) acetate

(cyclopropanecarbonylamino) acetate (PubChem CID 87271994) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (cyclopropanecarbonylamino) acetate.

Molecular Properties

Compound Name(cyclopropanecarbonylamino) acetate
PubChem CID87271994
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(cyclopropanecarbonylamino) acetate
SMILESCC(=O)ONC(=O)C1CC1
InChIInChI=1S/C6H9NO3/c1-4(8)10-7-6(9)5-2-3-5/h5H,2-3H2,1H3,(H,7,9)
InChIKeyDZUSFRXWNFDZAM-UHFFFAOYSA-N
XLogP-0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclopropanecarbonylamino) acetate?
The IUPAC name of (cyclopropanecarbonylamino) acetate (CID 87271994) is (cyclopropanecarbonylamino) acetate.
What is the SMILES notation for (cyclopropanecarbonylamino) acetate?
The canonical SMILES for (cyclopropanecarbonylamino) acetate is CC(=O)ONC(=O)C1CC1.
What is the InChIKey of (cyclopropanecarbonylamino) acetate?
The InChIKey is DZUSFRXWNFDZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)10-7-6(9)5-2-3-5/h5H,2-3H2,1H3,(H,7,9).
What are the key properties of (cyclopropanecarbonylamino) acetate?
(cyclopropanecarbonylamino) acetate has a molecular weight of 143.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopropanecarbonylamino) acetate is sourced from PubChem (CID 87271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).