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

C14H21NO5 — CID 103496827

IUPAC4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C14H21NO5/c1-10(11(2)14(17)18)13(16)15-6-4-7-19-9-12-5-3-8-20-12/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNKWOPBGTRJJNQC-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.66
Rot. Bonds9

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

4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496827) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496827
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCCCOCc1ccco1
InChIInChI=1S/C14H21NO5/c1-10(11(2)14(17)18)13(16)15-6-4-7-19-9-12-5-3-8-20-12/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNKWOPBGTRJJNQC-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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

N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
2,3-dimethyl-4-oxo-4-(3-phenylmethoxypropylamino)butanoic acid
CID 103496536
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
CID 94176412
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid (CID 103496827) is 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCCCOCc1ccco1.
What is the InChIKey of 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is NKWOPBGTRJJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-10(11(2)14(17)18)13(16)15-6-4-7-19-9-12-5-3-8-20-12/h3,5,8,10-11H,4,6-7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid?
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 283.32 g/mol, XLogP of 1.66, 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]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).