methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate

C11H13NO4 — CID 60637985

IUPACmethyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C11H13NO4/c1-8(11(14)15-2)12-10(13)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H,12,13)
InChIKeyNSUFKRWNRIAXQJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate

methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate (PubChem CID 60637985) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
PubChem CID60637985
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)C=Cc1ccco1
InChIInChI=1S/C11H13NO4/c1-8(11(14)15-2)12-10(13)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H,12,13)
InChIKeyNSUFKRWNRIAXQJ-UHFFFAOYSA-N
XLogP0.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.97
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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Related Compounds

3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 4820314
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]propanoic acid
CID 69434609
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43416620
methyl 2-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoyl]amino]-3-hydroxybutanoate
CID 139401672
(E)-3-(furan-2-yl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 9048389
(2R)-2-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanamide
CID 133126705
methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]propanoate
CID 60637866
[(2R)-1-amino-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7860502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate?
The IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate (CID 60637985) is methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate.
What is the SMILES notation for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate?
The canonical SMILES for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate is COC(=O)C(C)NC(=O)C=Cc1ccco1.
What is the InChIKey of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate?
The InChIKey is NSUFKRWNRIAXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(11(14)15-2)12-10(13)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H,12,13).
What are the key properties of methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate?
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate has a molecular weight of 223.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate is sourced from PubChem (CID 60637985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).