2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid

C14H22N2O4 — CID 61421365

IUPAC2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CC)Cc1ccco1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-5-8-12(13(17)18)15-14(19)16(4-2)10-11-7-6-9-20-11/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUDECIMKHFOOGFX-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.45
Rot. Bonds8

About 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid

2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid (PubChem CID 61421365) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
PubChem CID61421365
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)N(CC)Cc1ccco1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-3-5-8-12(13(17)18)15-14(19)16(4-2)10-11-7-6-9-20-11/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUDECIMKHFOOGFX-UHFFFAOYSA-N
XLogP2.45
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
(2S)-5-amino-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61420678
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
CID 113357146
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
(2R)-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909907
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266487
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid (CID 61421365) is 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid is CCCCC(NC(=O)N(CC)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
The InChIKey is UDECIMKHFOOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-5-8-12(13(17)18)15-14(19)16(4-2)10-11-7-6-9-20-11/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid?
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 61421365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).