2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid

C7H14N2O3 — CID 85238750

IUPAC2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid
SMILESNC1CCN(CC(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-5-1-2-9(3-6(5)10)4-7(11)12/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyVCYBRRPXMDYWBX-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.54
Rot. Bonds2

About 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid

2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid (PubChem CID 85238750) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid
PubChem CID85238750
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid
SMILESNC1CCN(CC(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-5-1-2-9(3-6(5)10)4-7(11)12/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyVCYBRRPXMDYWBX-UHFFFAOYSA-N
XLogP-1.54
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid (CID 85238750) is 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid is NC1CCN(CC(=O)O)CC1O.
What is the InChIKey of 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid?
The InChIKey is VCYBRRPXMDYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-5-1-2-9(3-6(5)10)4-7(11)12/h5-6,10H,1-4,8H2,(H,11,12).
What are the key properties of 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid?
2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid has a molecular weight of 174.20 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxypiperidin-1-yl)acetic acid is sourced from PubChem (CID 85238750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).