2-(furan-2-ylmethylcarbamoylamino)pentanoic acid

C11H16N2O4 — CID 61188799

IUPAC2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-4-9(10(14)15)13-11(16)12-7-8-5-3-6-17-8/h3,5-6,9H,2,4,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyKSLNYPIQRWQUAC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.33
Rot. Bonds6

About 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid

2-(furan-2-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 61188799) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
PubChem CID61188799
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-2-4-9(10(14)15)13-11(16)12-7-8-5-3-6-17-8/h3,5-6,9H,2,4,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyKSLNYPIQRWQUAC-UHFFFAOYSA-N
XLogP1.33
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(2S)-2-[(3-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 30121245

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid (CID 61188799) is 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is KSLNYPIQRWQUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-4-9(10(14)15)13-11(16)12-7-8-5-3-6-17-8/h3,5-6,9H,2,4,7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid?
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61188799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).