2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid

C7H14N2O3 — CID 175943133

IUPAC2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid
SMILESN[C@H]1CCN(CC(=O)O)C[C@H]1O
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)/t5-,6+/m0/s1
InChIKeyVCYBRRPXMDYWBX-NTSWFWBYSA-N
MW174.20 g/mol
LogP-1.54
Rot. Bonds2

About 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid

2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid (PubChem CID 175943133) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid
PubChem CID175943133
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid
SMILESN[C@H]1CCN(CC(=O)O)C[C@H]1O
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)/t5-,6+/m0/s1
InChIKeyVCYBRRPXMDYWBX-NTSWFWBYSA-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-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid (CID 175943133) is 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid is N[C@H]1CCN(CC(=O)O)C[C@H]1O.
What is the InChIKey of 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid?
The InChIKey is VCYBRRPXMDYWBX-NTSWFWBYSA-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)/t5-,6+/m0/s1.
What are the key properties of 2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid?
2-[(3R,4S)-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-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]acetic acid is sourced from PubChem (CID 175943133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).