amino 3-cyclopropylprop-2-enoate

C6H9NO2 — CID 174359993

IUPACamino 3-cyclopropylprop-2-enoate
SMILESNOC(=O)C=CC1CC1
InChIInChI=1S/C6H9NO2/c7-9-6(8)4-3-5-1-2-5/h3-5H,1-2,7H2
InChIKeyBJLXTHLKECSKQQ-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.37
Rot. Bonds2

About amino 3-cyclopropylprop-2-enoate

amino 3-cyclopropylprop-2-enoate (PubChem CID 174359993) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is amino 3-cyclopropylprop-2-enoate.

Molecular Properties

Compound Nameamino 3-cyclopropylprop-2-enoate
PubChem CID174359993
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Nameamino 3-cyclopropylprop-2-enoate
SMILESNOC(=O)C=CC1CC1
InChIInChI=1S/C6H9NO2/c7-9-6(8)4-3-5-1-2-5/h3-5H,1-2,7H2
InChIKeyBJLXTHLKECSKQQ-UHFFFAOYSA-N
XLogP0.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 3-cyclopropylprop-2-enoate?
The IUPAC name of amino 3-cyclopropylprop-2-enoate (CID 174359993) is amino 3-cyclopropylprop-2-enoate.
What is the SMILES notation for amino 3-cyclopropylprop-2-enoate?
The canonical SMILES for amino 3-cyclopropylprop-2-enoate is NOC(=O)C=CC1CC1.
What is the InChIKey of amino 3-cyclopropylprop-2-enoate?
The InChIKey is BJLXTHLKECSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c7-9-6(8)4-3-5-1-2-5/h3-5H,1-2,7H2.
What are the key properties of amino 3-cyclopropylprop-2-enoate?
amino 3-cyclopropylprop-2-enoate has a molecular weight of 127.14 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino 3-cyclopropylprop-2-enoate is sourced from PubChem (CID 174359993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).