2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

C13H17NO4 — CID 64813064

IUPAC2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccco1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17NO4/c15-12(7-6-9-3-2-8-18-9)14-11-5-1-4-10(11)13(16)17/h2-3,8,10-11H,1,4-7H2,(H,14,15)(H,16,17)
InChIKeyAUFCCHPUMNXFCK-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.58
Rot. Bonds5

About 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64813064) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID64813064
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccco1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H17NO4/c15-12(7-6-9-3-2-8-18-9)14-11-5-1-4-10(11)13(16)17/h2-3,8,10-11H,1,4-7H2,(H,14,15)(H,16,17)
InChIKeyAUFCCHPUMNXFCK-UHFFFAOYSA-N
XLogP1.58
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3-(furan-2-yl)propanamide
CID 93452004
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
CID 40505929
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
N-(3-aminocyclobutyl)-3-(furan-2-yl)propanamide
CID 43594940
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
3-(furan-2-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995480
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 54867947
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-(furan-2-yl)propanamide
CID 66211531

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 64813064) is 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1ccco1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is AUFCCHPUMNXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12(7-6-9-3-2-8-18-9)14-11-5-1-4-10(11)13(16)17/h2-3,8,10-11H,1,4-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).