6-(furan-2-ylmethylcarbamoylamino)hexanoic acid

C12H18N2O4 — CID 61188617

IUPAC6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O4/c15-11(16)6-2-1-3-7-13-12(17)14-9-10-5-4-8-18-10/h4-5,8H,1-3,6-7,9H2,(H,15,16)(H2,13,14,17)
InChIKeyXINXVHRRTOPQKN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.72
Rot. Bonds8

About 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid

6-(furan-2-ylmethylcarbamoylamino)hexanoic acid (PubChem CID 61188617) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
PubChem CID61188617
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O4/c15-11(16)6-2-1-3-7-13-12(17)14-9-10-5-4-8-18-10/h4-5,8H,1-3,6-7,9H2,(H,15,16)(H2,13,14,17)
InChIKeyXINXVHRRTOPQKN-UHFFFAOYSA-N
XLogP1.72
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
CID 61471041
7-(1,2-oxazol-5-ylmethylcarbamoylamino)heptanoic acid
CID 114186663
7-(1,2-oxazol-3-ylmethylcarbamoylamino)heptanoic acid
CID 81177356
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
1-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
[2-(furan-2-ylmethylamino)-2-oxoethyl] 6-(carbamoylamino)hexanoate
CID 8859315
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid (CID 61188617) is 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)NCc1ccco1.
What is the InChIKey of 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid?
The InChIKey is XINXVHRRTOPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-11(16)6-2-1-3-7-13-12(17)14-9-10-5-4-8-18-10/h4-5,8H,1-3,6-7,9H2,(H,15,16)(H2,13,14,17).
What are the key properties of 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid?
6-(furan-2-ylmethylcarbamoylamino)hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61188617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).