methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate

C14H20N2O5 — CID 166629403

IUPACmethyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccoc1
InChIInChI=1S/C14H20N2O5/c1-9(2)6-11(14(19)15-7-12(17)20-3)16-13(18)10-4-5-21-8-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyZMGOYEZGTTXOIX-NSHDSACASA-N
MW296.32 g/mol
LogP0.71
Rot. Bonds7

About methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate

methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate (PubChem CID 166629403) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate
PubChem CID166629403
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccoc1
InChIInChI=1S/C14H20N2O5/c1-9(2)6-11(14(19)15-7-12(17)20-3)16-13(18)10-4-5-21-8-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1
InChIKeyZMGOYEZGTTXOIX-NSHDSACASA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate (CID 166629403) is methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate is COC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)c1ccoc1.
What is the InChIKey of methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate?
The InChIKey is ZMGOYEZGTTXOIX-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O5/c1-9(2)6-11(14(19)15-7-12(17)20-3)16-13(18)10-4-5-21-8-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,15,19)(H,16,18)/t11-/m0/s1.
What are the key properties of methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate?
methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate has a molecular weight of 296.32 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(furan-3-carbonylamino)-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 166629403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).