2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid

C12H18N2O4 — CID 103997753

IUPAC2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1ccoc1
InChIInChI=1S/C12H18N2O4/c1-9(2)6-14(7-11(15)16)12(17)13-5-10-3-4-18-8-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRPNFFDLTQTUHPE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.53
Rot. Bonds6

About 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid

2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid (PubChem CID 103997753) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
PubChem CID103997753
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)NCc1ccoc1
InChIInChI=1S/C12H18N2O4/c1-9(2)6-14(7-11(15)16)12(17)13-5-10-3-4-18-8-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyRPNFFDLTQTUHPE-UHFFFAOYSA-N
XLogP1.53
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[2-methylpropyl(thiophen-2-ylmethylcarbamoyl)amino]acetic acid
CID 63065790
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
2-(furan-3-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 113363536
2-[2-methylpropyl-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]amino]acetic acid
CID 106382782
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316
2-[2-methylpropyl(1-phenylethylcarbamoyl)amino]acetic acid
CID 63064367
(2S,3R)-2-(furan-3-ylmethylcarbamoylamino)-3-hydroxybutanoic acid
CID 104966633
2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725

Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid (CID 103997753) is 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)NCc1ccoc1.
What is the InChIKey of 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is RPNFFDLTQTUHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(2)6-14(7-11(15)16)12(17)13-5-10-3-4-18-8-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid?
2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethylcarbamoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 103997753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).