2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid

C13H20N2O4 — CID 65223609

IUPAC2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-3-5-10(12(16)17)8-14-13(18)15(2)9-11-6-4-7-19-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZQBLYJWRFLHYPH-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.92
Rot. Bonds7

About 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid

2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65223609) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
PubChem CID65223609
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-3-5-10(12(16)17)8-14-13(18)15(2)9-11-6-4-7-19-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZQBLYJWRFLHYPH-UHFFFAOYSA-N
XLogP1.92
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 71757104
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
(2R)-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909907
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[methyl-(2-methylphenyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221593
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
2-[[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]methyl]butanoic acid
CID 65218795

Frequently Asked Questions

What is the IUPAC name of 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid (CID 65223609) is 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(C)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is ZQBLYJWRFLHYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-5-10(12(16)17)8-14-13(18)15(2)9-11-6-4-7-19-11/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid?
2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65223609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).