[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium

C8H15N4O4+ — CID 118326464

IUPAC[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
SMILESCOCOC1CCN(C(=O)O)CC1N=[N+]=N
InChIInChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7,9H,2-5H2,1H3/p+1
InChIKeyDSXTXDAZYPZMNA-UHFFFAOYSA-O
MW231.23 g/mol
LogP0.28
Rot. Bonds4

About [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium

[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium (PubChem CID 118326464) has the molecular formula C8H15N4O4+ and a molecular weight of 231.23 g/mol. Its IUPAC name is [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium.

Molecular Properties

Compound Name[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
PubChem CID118326464
Molecular FormulaC8H15N4O4+
Molecular Weight231.23 g/mol
Exact Mass231.11
IUPAC Name[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium
SMILESCOCOC1CCN(C(=O)O)CC1N=[N+]=N
InChIInChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7,9H,2-5H2,1H3/p+1
InChIKeyDSXTXDAZYPZMNA-UHFFFAOYSA-O
XLogP0.28
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-4-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326461
4-ethoxycarbonyl-3-(methoxymethoxy)piperidine-1-carboxylic acid
CID 118326496
3-azido-4-(2-methoxyethoxy)pyrrolidine-1-carboxylic acid
CID 137480495
(3S,4S)-3-azido-4-methoxypyrrolidine-1-carboxylic acid
CID 137480598
4-methoxy-3-phenylmethoxypiperidine-1-carboxylic acid
CID 141023299
tert-butyl (3S,4R)-4-formyl-3-(methoxymethoxy)piperidine-1-carboxylate
CID 86657808
tert-butyl (3R,4R)-3-azido-4-methoxypiperidine-1-carboxylate
CID 118661700
3-azido-4-prop-2-ynoxypyrrolidine-1-carboxylic acid
CID 91013284
(3R)-4-(cyclohexylmethyl)-3-(methoxymethyl)piperazine-1-carboxylic acid
CID 175485244
2-anilino-1-[(3S)-3-(methoxymethoxy)pyrrolidin-1-yl]ethanone
CID 70342538
(3R)-3-(methoxymethyl)-4-(2-methylpropyl)piperazine-1-carboxylic acid
CID 174172845
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517

Frequently Asked Questions

What is the IUPAC name of [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium?
The IUPAC name of [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium (CID 118326464) is [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium.
What is the SMILES notation for [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium?
The canonical SMILES for [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium is COCOC1CCN(C(=O)O)CC1N=[N+]=N.
What is the InChIKey of [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium?
The InChIKey is DSXTXDAZYPZMNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4O4/c1-15-5-16-7-2-3-12(8(13)14)4-6(7)10-11-9/h6-7,9H,2-5H2,1H3/p+1.
What are the key properties of [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium?
[1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium has a molecular weight of 231.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carboxy-4-(methoxymethoxy)piperidin-3-yl]imino-iminoazanium is sourced from PubChem (CID 118326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).