(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

C14H19NO4 — CID 55169449

IUPAC(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C14H19NO4/c1-9(6-7-12-5-4-8-19-12)15-13(16)10(2)11(3)14(17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,18)/b11-10-
InChIKeyDADOUSRXKCBSKD-KHPPLWFESA-N
MW265.31 g/mol
LogP2.14
Rot. Bonds6

About (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid (PubChem CID 55169449) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
PubChem CID55169449
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C14H19NO4/c1-9(6-7-12-5-4-8-19-12)15-13(16)10(2)11(3)14(17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,18)/b11-10-
InChIKeyDADOUSRXKCBSKD-KHPPLWFESA-N
XLogP2.14
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid 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

N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
CID 103246849
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid (CID 55169449) is (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid is C/C(C(=O)O)=C(\C)C(=O)NC(C)CCc1ccco1.
What is the InChIKey of (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The InChIKey is DADOUSRXKCBSKD-KHPPLWFESA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(6-7-12-5-4-8-19-12)15-13(16)10(2)11(3)14(17)18/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,18)/b11-10-.
What are the key properties of (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 55169449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).