2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid

C10H18N2O4 — CID 63904708

IUPAC2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)CCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c11-9(13)3-6-12-4-1-8(2-5-12)16-7-10(14)15/h8H,1-7H2,(H2,11,13)(H,14,15)
InChIKeyAXSFSJPPWSFJHB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds6

About 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63904708) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
PubChem CID63904708
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)CCN1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c11-9(13)3-6-12-4-1-8(2-5-12)16-7-10(14)15/h8H,1-7H2,(H2,11,13)(H,14,15)
InChIKeyAXSFSJPPWSFJHB-UHFFFAOYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid (CID 63904708) is 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid is NC(=O)CCN1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is AXSFSJPPWSFJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-9(13)3-6-12-4-1-8(2-5-12)16-7-10(14)15/h8H,1-7H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63904708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).