2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid

C10H20N2O3 — CID 83989413

IUPAC2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid
SMILESCCC(O)C1CC(N)CN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-2-9(13)7-3-8(11)5-12(4-7)6-10(14)15/h7-9,13H,2-6,11H2,1H3,(H,14,15)
InChIKeyKMARFSMQPJFOBM-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.51
Rot. Bonds4

About 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid

2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid (PubChem CID 83989413) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid
PubChem CID83989413
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid
SMILESCCC(O)C1CC(N)CN(CC(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-2-9(13)7-3-8(11)5-12(4-7)6-10(14)15/h7-9,13H,2-6,11H2,1H3,(H,14,15)
InChIKeyKMARFSMQPJFOBM-UHFFFAOYSA-N
XLogP-0.51
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 83989143
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83989163
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
1-[1-ethyl-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990205
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990763
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
2-(3-amino-5-propylpiperidin-1-yl)acetamide
CID 83989452

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid (CID 83989413) is 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid is CCC(O)C1CC(N)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid?
The InChIKey is KMARFSMQPJFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-9(13)7-3-8(11)5-12(4-7)6-10(14)15/h7-9,13H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid?
2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid has a molecular weight of 216.28 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83989413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).