5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid

C7H11F2NO4 — CID 13273324

IUPAC5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid
SMILESCOC(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C7H11F2NO4/c1-14-7(13)10-4(6(8)9)2-3-5(11)12/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyVPSSCKDSSJYCDP-UHFFFAOYSA-N
MW211.16 g/mol
LogP0.84
Rot. Bonds5

About 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid

5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid (PubChem CID 13273324) has the molecular formula C7H11F2NO4 and a molecular weight of 211.16 g/mol. Its IUPAC name is 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid
PubChem CID13273324
Molecular FormulaC7H11F2NO4
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid
SMILESCOC(=O)NC(CCC(=O)O)C(F)F
InChIInChI=1S/C7H11F2NO4/c1-14-7(13)10-4(6(8)9)2-3-5(11)12/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12)
InChIKeyVPSSCKDSSJYCDP-UHFFFAOYSA-N
XLogP0.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid?
The IUPAC name of 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid (CID 13273324) is 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid is COC(=O)NC(CCC(=O)O)C(F)F.
What is the InChIKey of 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid?
The InChIKey is VPSSCKDSSJYCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO4/c1-14-7(13)10-4(6(8)9)2-3-5(11)12/h4,6H,2-3H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid?
5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid has a molecular weight of 211.16 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4-(methoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 13273324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).