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

C14H22N2O4 — CID 62853925

IUPAC3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccco1)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-15(9-11(3)13(17)18)14(19)16(5-2)10-12-7-6-8-20-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyIOUQFVZWDJGGKF-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.26
Rot. Bonds7

About 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62853925) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62853925
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccco1)C(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-15(9-11(3)13(17)18)14(19)16(5-2)10-12-7-6-8-20-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18)
InChIKeyIOUQFVZWDJGGKF-UHFFFAOYSA-N
XLogP2.26
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976380
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
3-[ethyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852289
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62853925) is 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(Cc1ccco1)C(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IOUQFVZWDJGGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-15(9-11(3)13(17)18)14(19)16(5-2)10-12-7-6-8-20-12/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).