(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid

C14H22N2O4 — CID 107566688

IUPAC(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cc(C)oc1C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1
InChIKeyNRXCFJGRMOQWQU-FFFFSGIJSA-N
MW282.34 g/mol
LogP2.51
Rot. Bonds6

About (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid

(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107566688) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID107566688
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cc(C)oc1C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1
InChIKeyNRXCFJGRMOQWQU-FFFFSGIJSA-N
XLogP2.51
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566505
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97067878
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
CID 61478894
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111454908
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566523
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid (CID 107566688) is (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)c1cc(C)oc1C)C(=O)O.
What is the InChIKey of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is NRXCFJGRMOQWQU-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-6-12(13(17)18)16-14(19)15-9(3)11-7-8(2)20-10(11)4/h7,9,12H,5-6H2,1-4H3,(H,17,18)(H2,15,16,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107566688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).