2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid

C15H24N2O4 — CID 62820644

IUPAC2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)c1cc(C)oc1C)C(C)(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-7-17(15(5,6)13(18)19)14(20)16-10(3)12-8-9(2)21-11(12)4/h8,10H,7H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyZTPCEOLMHBDVNB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid

2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid (PubChem CID 62820644) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
PubChem CID62820644
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)c1cc(C)oc1C)C(C)(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-7-17(15(5,6)13(18)19)14(20)16-10(3)12-8-9(2)21-11(12)4/h8,10H,7H2,1-6H3,(H,16,20)(H,18,19)
InChIKeyZTPCEOLMHBDVNB-UHFFFAOYSA-N
XLogP2.85
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95142311
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
(2R)-2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107566688
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79811989
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
(2S)-3-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107839410
3-[[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81066841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid (CID 62820644) is 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid is CCN(C(=O)NC(C)c1cc(C)oc1C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
The InChIKey is ZTPCEOLMHBDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-7-17(15(5,6)13(18)19)14(20)16-10(3)12-8-9(2)21-11(12)4/h8,10H,7H2,1-6H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid?
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).