2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid

C12H18N2O4 — CID 65218028

IUPAC2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-4-9(11(15)16)7-13-12(17)14-8-10-5-3-6-18-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOFFOTNGGQBHUSE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.58
Rot. Bonds7

About 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid

2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65218028) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
PubChem CID65218028
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-2-4-9(11(15)16)7-13-12(17)14-8-10-5-3-6-18-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyOFFOTNGGQBHUSE-UHFFFAOYSA-N
XLogP1.58
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]pentanoic acid
CID 65223609
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-[[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65222818
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65221570
2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
CID 119204949

Frequently Asked Questions

What is the IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid (CID 65218028) is 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is OFFOTNGGQBHUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-4-9(11(15)16)7-13-12(17)14-8-10-5-3-6-18-10/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid?
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65218028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).