4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid

C14H21NO5 — CID 65302640

IUPAC4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCCOCc1ccco1)C(=O)O
InChIInChI=1S/C14H21NO5/c1-14(2,13(17)18)9-12(16)15-6-4-7-19-10-11-5-3-8-20-11/h3,5,8H,4,6-7,9-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYXQXQOFZAGUJST-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.80
Rot. Bonds9

About 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid

4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65302640) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65302640
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)NCCCOCc1ccco1)C(=O)O
InChIInChI=1S/C14H21NO5/c1-14(2,13(17)18)9-12(16)15-6-4-7-19-10-11-5-3-8-20-11/h3,5,8H,4,6-7,9-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyYXQXQOFZAGUJST-UHFFFAOYSA-N
XLogP1.80
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid (CID 65302640) is 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)NCCCOCc1ccco1)C(=O)O.
What is the InChIKey of 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is YXQXQOFZAGUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-14(2,13(17)18)9-12(16)15-6-4-7-19-10-11-5-3-8-20-11/h3,5,8H,4,6-7,9-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid?
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65302640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).