2-(hexoxyamino)pentanedioic acid;hydrofluoride

C11H22FNO5 — CID 174643827

IUPAC2-(hexoxyamino)pentanedioic acid;hydrofluoride
SMILESCCCCCCONC(CCC(=O)O)C(=O)O.F
InChIInChI=1S/C11H21NO5.FH/c1-2-3-4-5-8-17-12-9(11(15)16)6-7-10(13)14;/h9,12H,2-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyDWETUSZVBGVWCT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.56
Rot. Bonds11

About 2-(hexoxyamino)pentanedioic acid;hydrofluoride

2-(hexoxyamino)pentanedioic acid;hydrofluoride (PubChem CID 174643827) has the molecular formula C11H22FNO5 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(hexoxyamino)pentanedioic acid;hydrofluoride.

Molecular Properties

Compound Name2-(hexoxyamino)pentanedioic acid;hydrofluoride
PubChem CID174643827
Molecular FormulaC11H22FNO5
Molecular Weight267.30 g/mol
Exact Mass267.15
IUPAC Name2-(hexoxyamino)pentanedioic acid;hydrofluoride
SMILESCCCCCCONC(CCC(=O)O)C(=O)O.F
InChIInChI=1S/C11H21NO5.FH/c1-2-3-4-5-8-17-12-9(11(15)16)6-7-10(13)14;/h9,12H,2-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyDWETUSZVBGVWCT-UHFFFAOYSA-N
XLogP1.56
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-(pentoxyamino)propanoic acid
CID 154790126
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
CID 161488453
CID 161488453
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
sodium;(2S)-2-(hexadecylamino)pentanedioic acid;hydride
CID 174767967
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186

Frequently Asked Questions

What is the IUPAC name of 2-(hexoxyamino)pentanedioic acid;hydrofluoride?
The IUPAC name of 2-(hexoxyamino)pentanedioic acid;hydrofluoride (CID 174643827) is 2-(hexoxyamino)pentanedioic acid;hydrofluoride.
What is the SMILES notation for 2-(hexoxyamino)pentanedioic acid;hydrofluoride?
The canonical SMILES for 2-(hexoxyamino)pentanedioic acid;hydrofluoride is CCCCCCONC(CCC(=O)O)C(=O)O.F.
What is the InChIKey of 2-(hexoxyamino)pentanedioic acid;hydrofluoride?
The InChIKey is DWETUSZVBGVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5.FH/c1-2-3-4-5-8-17-12-9(11(15)16)6-7-10(13)14;/h9,12H,2-8H2,1H3,(H,13,14)(H,15,16);1H.
What are the key properties of 2-(hexoxyamino)pentanedioic acid;hydrofluoride?
2-(hexoxyamino)pentanedioic acid;hydrofluoride has a molecular weight of 267.30 g/mol, XLogP of 1.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxyamino)pentanedioic acid;hydrofluoride is sourced from PubChem (CID 174643827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).