2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid

C13H20N2O5 — CID 81084763

IUPAC2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-15(9-10-5-3-8-20-10)13(18)14-11(12(16)17)6-4-7-19-2/h3,5,8,11H,4,6-7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHXEIVZGYZSPXAW-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.30
Rot. Bonds8

About 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid

2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid (PubChem CID 81084763) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
PubChem CID81084763
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-15(9-10-5-3-8-20-10)13(18)14-11(12(16)17)6-4-7-19-2/h3,5,8,11H,4,6-7,9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHXEIVZGYZSPXAW-UHFFFAOYSA-N
XLogP1.30
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
(2R)-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909907
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61421365
2-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 55003505
5-methoxy-2-[[methyl(pentyl)carbamoyl]amino]pentanoic acid
CID 81085427
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
4-methoxy-2-[[methyl-[(4-methylphenyl)methyl]carbamoyl]amino]butanoic acid
CID 62480404
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
CID 95159972
5-methoxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]pentanoic acid
CID 81081490
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]-4-methoxybutanoic acid
CID 62480772
5-methoxy-2-[[methyl(pyridin-3-yl)carbamoyl]amino]pentanoic acid
CID 81082348

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid (CID 81084763) is 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N(C)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
The InChIKey is HXEIVZGYZSPXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-15(9-10-5-3-8-20-10)13(18)14-11(12(16)17)6-4-7-19-2/h3,5,8,11H,4,6-7,9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid?
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).