2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid

C16H23NO4 — CID 43630757

IUPAC2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1ccc(C2CC2C)o1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-13(16(19)20)17-15(18)8-6-11-5-7-14(21-11)12-9-10(12)2/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRDBXBNFUMMCQTG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.71
Rot. Bonds8

About 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid

2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid (PubChem CID 43630757) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid
PubChem CID43630757
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid
SMILESCCCC(NC(=O)CCc1ccc(C2CC2C)o1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-13(16(19)20)17-15(18)8-6-11-5-7-14(21-11)12-9-10(12)2/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyRDBXBNFUMMCQTG-UHFFFAOYSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 115771031
N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
N-(2,3-dihydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 66168303
3-hydroxy-N'-[3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanoyl]benzohydrazide
CID 97023104
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94016882
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473557
5-chloro-2-hydroxy-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]benzohydrazide
CID 55468348
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
CID 93252359
(2R)-2-(butanoylamino)pentanoic acid
CID 107562849
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid?
The IUPAC name of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid (CID 43630757) is 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid.
What is the SMILES notation for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid?
The canonical SMILES for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid is CCCC(NC(=O)CCc1ccc(C2CC2C)o1)C(=O)O.
What is the InChIKey of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid?
The InChIKey is RDBXBNFUMMCQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-13(16(19)20)17-15(18)8-6-11-5-7-14(21-11)12-9-10(12)2/h5,7,10,12-13H,3-4,6,8-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid?
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]pentanoic acid is sourced from PubChem (CID 43630757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).