2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid

C10H18N2O4 — CID 54502779

IUPAC2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](N)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7(11)10(15)12-4-2-8(3-5-12)16-6-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyYDPOSFHSGWISTR-ZETCQYMHSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds4

About 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 54502779) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid
PubChem CID54502779
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](N)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-7(11)10(15)12-4-2-8(3-5-12)16-6-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyYDPOSFHSGWISTR-ZETCQYMHSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid (CID 54502779) is 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid is C[C@H](N)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is YDPOSFHSGWISTR-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(11)10(15)12-4-2-8(3-5-12)16-6-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 54502779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).