2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid

C9H17N3O4 — CID 156834821

IUPAC2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CONC1CCCNC1
InChIInChI=1S/C9H17N3O4/c13-8(11-5-9(14)15)6-16-12-7-2-1-3-10-4-7/h7,10,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyJRYOECBDCSGHFT-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.54
Rot. Bonds6

About 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid

2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid (PubChem CID 156834821) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid
PubChem CID156834821
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CONC1CCCNC1
InChIInChI=1S/C9H17N3O4/c13-8(11-5-9(14)15)6-16-12-7-2-1-3-10-4-7/h7,10,12H,1-6H2,(H,11,13)(H,14,15)
InChIKeyJRYOECBDCSGHFT-UHFFFAOYSA-N
XLogP-1.54
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-cyclooctyloxyacetyl)amino]acetyl]amino]acetic acid
CID 154992981
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062
N-piperidin-3-ylpropanamide
CID 3520588
N-pentoxypiperidin-3-amine
CID 123747359
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
2-[[2-(pyrrolidine-3-carbonylamino)acetyl]amino]acetic acid
CID 63006441
2-[[(3R)-piperidine-3-carbonyl]amino]oxyacetic acid
CID 104867451
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid (CID 156834821) is 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid is O=C(O)CNC(=O)CONC1CCCNC1.
What is the InChIKey of 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid?
The InChIKey is JRYOECBDCSGHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c13-8(11-5-9(14)15)6-16-12-7-2-1-3-10-4-7/h7,10,12H,1-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid?
2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(piperidin-3-ylamino)oxyacetyl]amino]acetic acid is sourced from PubChem (CID 156834821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).