(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid

C10H18N2O4 — CID 79479882

IUPAC(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
SMILESNCCOCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c11-4-6-16-7-9(13)12-5-2-1-3-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m1/s1
InChIKeyJHRNJVLHVGYINX-MRVPVSSYSA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds5

About (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 79479882) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID79479882
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
SMILESNCCOCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C10H18N2O4/c11-4-6-16-7-9(13)12-5-2-1-3-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m1/s1
InChIKeyJHRNJVLHVGYINX-MRVPVSSYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-[2-(2-phenylethoxy)acetyl]piperidine-2-carboxylic acid
CID 119176089
2-(2-aminoethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217978
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2R,4R)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79479127
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
(2S,4S)-1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79478912
1-[2-(2-aminoethoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79473431

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid (CID 79479882) is (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid is NCCOCC(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is JHRNJVLHVGYINX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4/c11-4-6-16-7-9(13)12-5-2-1-3-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79479882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).