methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate

C11H17NO4 — CID 43407202

IUPACmethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO4/c1-16-11(15)9(7-13)12-10(14)6-8-4-2-3-5-8/h2,4,8-9,13H,3,5-7H2,1H3,(H,12,14)
InChIKeyGWBBWSTXUCSXOA-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.01
Rot. Bonds5

About methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate

methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate (PubChem CID 43407202) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
PubChem CID43407202
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)CC1C=CCC1
InChIInChI=1S/C11H17NO4/c1-16-11(15)9(7-13)12-10(14)6-8-4-2-3-5-8/h2,4,8-9,13H,3,5-7H2,1H3,(H,12,14)
InChIKeyGWBBWSTXUCSXOA-UHFFFAOYSA-N
XLogP-0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate (CID 43407202) is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)CC1C=CCC1.
What is the InChIKey of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate?
The InChIKey is GWBBWSTXUCSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-16-11(15)9(7-13)12-10(14)6-8-4-2-3-5-8/h2,4,8-9,13H,3,5-7H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate?
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate has a molecular weight of 227.26 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43407202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).