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

C9H18N2O3 — CID 83989477

IUPAC2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid
SMILESNC1CC(CC(=O)O)CN(CCO)C1
InChIInChI=1S/C9H18N2O3/c10-8-3-7(4-9(13)14)5-11(6-8)1-2-12/h7-8,12H,1-6,10H2,(H,13,14)
InChIKeyPEUTVIJTXZOWHT-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.90
Rot. Bonds4

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

2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid (PubChem CID 83989477) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid
PubChem CID83989477
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid
SMILESNC1CC(CC(=O)O)CN(CCO)C1
InChIInChI=1S/C9H18N2O3/c10-8-3-7(4-9(13)14)5-11(6-8)1-2-12/h7-8,12H,1-6,10H2,(H,13,14)
InChIKeyPEUTVIJTXZOWHT-UHFFFAOYSA-N
XLogP-0.90
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
CID 83989090
3-(3-aminoazetidin-1-yl)propanoic acid
CID 65249489
2-(5-amino-1-propylpiperidin-3-yl)ethanol
CID 83989015
2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
CID 64616484
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
2-[(1R,3R)-3-aminocyclopentyl]acetic acid;hydrochloride
CID 170154863
2-[1-(3-cyanopropyl)azetidin-3-yl]acetic acid
CID 64618700
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
3-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009602
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid (CID 83989477) is 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid is NC1CC(CC(=O)O)CN(CCO)C1.
What is the InChIKey of 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid?
The InChIKey is PEUTVIJTXZOWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-8-3-7(4-9(13)14)5-11(6-8)1-2-12/h7-8,12H,1-6,10H2,(H,13,14).
What are the key properties of 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid?
2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid has a molecular weight of 202.25 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(2-hydroxyethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 83989477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).