methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate

C16H23NO4 — CID 53436799

IUPACmethyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCCC(=O)C=Cc1ccco1
InChIInChI=1S/C16H23NO4/c1-12(2)11-15(16(19)20-3)17-9-8-13(18)6-7-14-5-4-10-21-14/h4-7,10,12,15,17H,8-9,11H2,1-3H3
InChIKeyPKGFGZCXWHOIMD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.43
Rot. Bonds9

About methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate

methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate (PubChem CID 53436799) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
PubChem CID53436799
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NCCC(=O)C=Cc1ccco1
InChIInChI=1S/C16H23NO4/c1-12(2)11-15(16(19)20-3)17-9-8-13(18)6-7-14-5-4-10-21-14/h4-7,10,12,15,17H,8-9,11H2,1-3H3
InChIKeyPKGFGZCXWHOIMD-UHFFFAOYSA-N
XLogP2.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
CID 3078040
(E)-1-(furan-2-yl)-5-[(1-hydroxy-1-phenylpropan-2-yl)amino]pent-1-en-3-one
CID 110176177
benzyl (2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylpentanoate
CID 78906118
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
methyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60696494
3-methylbutyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 56972286
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
methyl (E,2S)-5-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 71501506
methyl 2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60692657
1,5-bis(furan-2-yl)pent-1-en-3-one
CID 76595416
O-propan-2-yl N-[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioate
CID 102351235
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate (CID 53436799) is methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NCCC(=O)C=Cc1ccco1.
What is the InChIKey of methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate?
The InChIKey is PKGFGZCXWHOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)11-15(16(19)20-3)17-9-8-13(18)6-7-14-5-4-10-21-14/h4-7,10,12,15,17H,8-9,11H2,1-3H3.
What are the key properties of methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate?
methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate has a molecular weight of 293.36 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylpentanoate is sourced from PubChem (CID 53436799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).