methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate

C14H20N2O5 — CID 43623892

IUPACmethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CNC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C14H20N2O5/c1-4-7-14(2,13(19)20-3)16-11(17)9-15-12(18)10-6-5-8-21-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAILQHTOHAXUUIT-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.86
Rot. Bonds7

About methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate

methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate (PubChem CID 43623892) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate
PubChem CID43623892
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)CNC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C14H20N2O5/c1-4-7-14(2,13(19)20-3)16-11(17)9-15-12(18)10-6-5-8-21-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyAILQHTOHAXUUIT-UHFFFAOYSA-N
XLogP0.86
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709146
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103602259
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423692
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate (CID 43623892) is methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate is CCCC(C)(NC(=O)CNC(=O)c1ccco1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate?
The InChIKey is AILQHTOHAXUUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-7-14(2,13(19)20-3)16-11(17)9-15-12(18)10-6-5-8-21-10/h5-6,8H,4,7,9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate?
methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate has a molecular weight of 296.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]-2-methylpentanoate is sourced from PubChem (CID 43623892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).