methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate

C9H15NO3 — CID 170343563

IUPACmethyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
SMILESC/C=C(\NC1CCOC1)C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-8(9(11)12-2)10-7-4-5-13-6-7/h3,7,10H,4-6H2,1-2H3/b8-3-
InChIKeyQTVZFFFGPKBNBR-BAQGIRSFSA-N
MW185.22 g/mol
LogP0.44
Rot. Bonds3

About methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate

methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate (PubChem CID 170343563) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
PubChem CID170343563
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (Z)-2-(oxolan-3-ylamino)but-2-enoate
SMILESC/C=C(\NC1CCOC1)C(=O)OC
InChIInChI=1S/C9H15NO3/c1-3-8(9(11)12-2)10-7-4-5-13-6-7/h3,7,10H,4-6H2,1-2H3/b8-3-
InChIKeyQTVZFFFGPKBNBR-BAQGIRSFSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate?
The IUPAC name of methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate (CID 170343563) is methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate?
The canonical SMILES for methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate is C/C=C(\NC1CCOC1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate?
The InChIKey is QTVZFFFGPKBNBR-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-8(9(11)12-2)10-7-4-5-13-6-7/h3,7,10H,4-6H2,1-2H3/b8-3-.
What are the key properties of methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate?
methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(oxolan-3-ylamino)but-2-enoate is sourced from PubChem (CID 170343563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).