2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid

C11H22N2O8 — CID 89255193

IUPAC2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)OCCOCCON(O)O)C(=O)O
InChIInChI=1S/C11H22N2O8/c1-3-8(2)9(10(14)15)12-11(16)20-6-4-19-5-7-21-13(17)18/h8-9,17-18H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNBIRULGBOYVCFP-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.24
Rot. Bonds11

About 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid

2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid (PubChem CID 89255193) has the molecular formula C11H22N2O8 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid
PubChem CID89255193
Molecular FormulaC11H22N2O8
Molecular Weight310.30 g/mol
Exact Mass310.14
IUPAC Name2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)OCCOCCON(O)O)C(=O)O
InChIInChI=1S/C11H22N2O8/c1-3-8(2)9(10(14)15)12-11(16)20-6-4-19-5-7-21-13(17)18/h8-9,17-18H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyNBIRULGBOYVCFP-UHFFFAOYSA-N
XLogP0.24
TPSA137.79 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
2-(1-chloroethoxycarbonylamino)-3-methylpentanoic acid
CID 155070287
ethyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424721
(2S)-3-methyl-2-(3-propoxypropanoylamino)pentanoic acid
CID 55104204
(2S)-2-[[2-(2-methoxyethoxy)acetyl]amino]-3-methylpentanoic acid
CID 61172189
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
(2S,3S)-2-(3,4-dimethylpentanoylamino)-3-methylpentanoic acid
CID 119193969
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid (CID 89255193) is 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)OCCOCCON(O)O)C(=O)O.
What is the InChIKey of 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid?
The InChIKey is NBIRULGBOYVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O8/c1-3-8(2)9(10(14)15)12-11(16)20-6-4-19-5-7-21-13(17)18/h8-9,17-18H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid?
2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid has a molecular weight of 310.30 g/mol, XLogP of 0.24, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dihydroxyamino)oxyethoxy]ethoxycarbonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 89255193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).