2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid

C12H21N3O5 — CID 107437737

IUPAC2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C12H21N3O5/c13-10(17)7-14(8-11(18)19)12(20)15-5-2-1-3-9(15)4-6-16/h9,16H,1-8H2,(H2,13,17)(H,18,19)
InChIKeyCHDHSUCUHOODJU-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.78
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 107437737) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID107437737
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C12H21N3O5/c13-10(17)7-14(8-11(18)19)12(20)15-5-2-1-3-9(15)4-6-16/h9,16H,1-8H2,(H2,13,17)(H,18,19)
InChIKeyCHDHSUCUHOODJU-UHFFFAOYSA-N
XLogP-0.78
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[propyl-(2-propylpiperidine-1-carbonyl)amino]acetic acid
CID 83055974
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284254
2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-prop-2-enylamino]acetic acid
CID 79285121
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid
CID 43445645
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736
4-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63784488
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
2-[(2-amino-2-oxoethyl)-(2-azabicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 107438359

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid (CID 107437737) is 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)N1CCCCC1CCO.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is CHDHSUCUHOODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c13-10(17)7-14(8-11(18)19)12(20)15-5-2-1-3-9(15)4-6-16/h9,16H,1-8H2,(H2,13,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 107437737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).