3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid

C13H19NO4 — CID 82323491

IUPAC3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)Cc1ccco1
InChIInChI=1S/C13H19NO4/c1-2-3-6-12(15)14(8-7-13(16)17)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyRKAGBKHIKZDRAI-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.27
Rot. Bonds8

About 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid

3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid (PubChem CID 82323491) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
PubChem CID82323491
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
SMILESCCCCC(=O)N(CCC(=O)O)Cc1ccco1
InChIInChI=1S/C13H19NO4/c1-2-3-6-12(15)14(8-7-13(16)17)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyRKAGBKHIKZDRAI-UHFFFAOYSA-N
XLogP2.27
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoic acid;ethyl 3-[ethoxycarbonyl(furan-2-ylmethyl)amino]propanoate
CID 162128156
3-[ethylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 50894680
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
3-[butylsulfonyl(furan-2-ylmethyl)amino]propanoic acid
CID 82326435
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpentanamide
CID 3907966
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)pentanamide
CID 5238006
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 60520035

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid?
The IUPAC name of 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid (CID 82323491) is 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid.
What is the SMILES notation for 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid?
The canonical SMILES for 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid is CCCCC(=O)N(CCC(=O)O)Cc1ccco1.
What is the InChIKey of 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid?
The InChIKey is RKAGBKHIKZDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-3-6-12(15)14(8-7-13(16)17)10-11-5-4-9-18-11/h4-5,9H,2-3,6-8,10H2,1H3,(H,16,17).
What are the key properties of 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid?
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid is sourced from PubChem (CID 82323491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).