2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid

C14H22N2O4 — CID 107475583

IUPAC2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)c1ccc(CN)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)6-9(13(18)19)8-16-12(17)11-5-4-10(7-15)20-11/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOHUUNHMQOAQAJS-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.61
Rot. Bonds6

About 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid

2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid (PubChem CID 107475583) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
PubChem CID107475583
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
SMILESCC(C)(C)CC(CNC(=O)c1ccc(CN)o1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-14(2,3)6-9(13(18)19)8-16-12(17)11-5-4-10(7-15)20-11/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyOHUUNHMQOAQAJS-UHFFFAOYSA-N
XLogP1.61
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,3-dimethoxypropyl)furan-2-carboxamide
CID 114100067
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
CID 103811384
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474107
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
5-(aminomethyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]furan-2-carboxamide
CID 115360097
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324730
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473902

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid (CID 107475583) is 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid is CC(C)(C)CC(CNC(=O)c1ccc(CN)o1)C(=O)O.
What is the InChIKey of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid?
The InChIKey is OHUUNHMQOAQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,3)6-9(13(18)19)8-16-12(17)11-5-4-10(7-15)20-11/h4-5,9H,6-8,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid?
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 107475583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).