2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid

C11H21N3O4 — CID 113498359

IUPAC2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid
SMILESCN1CCC(CN(C)C(=O)NOCC(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c1-13-5-3-9(4-6-13)7-14(2)11(17)12-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyKQLFVBGWCGHBCV-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.01
Rot. Bonds5

About 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid (PubChem CID 113498359) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid
PubChem CID113498359
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid
SMILESCN1CCC(CN(C)C(=O)NOCC(=O)O)CC1
InChIInChI=1S/C11H21N3O4/c1-13-5-3-9(4-6-13)7-14(2)11(17)12-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyKQLFVBGWCGHBCV-UHFFFAOYSA-N
XLogP-0.01
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 64701683
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
(2R)-4-methyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63234972
(2S)-4-hydroxy-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 107827740
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275109
(2S,3S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275285
(2S)-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]hexanoic acid
CID 107146078
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid (CID 113498359) is 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid is CN1CCC(CN(C)C(=O)NOCC(=O)O)CC1.
What is the InChIKey of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid?
The InChIKey is KQLFVBGWCGHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-13-5-3-9(4-6-13)7-14(2)11(17)12-18-8-10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid?
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid has a molecular weight of 259.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid is sourced from PubChem (CID 113498359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).