2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

C12H21N3O5 — CID 61329470

IUPAC2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-14(2)9-3-5-15(6-4-9)12(19)13-10(16)7-20-8-11(17)18/h9H,3-8H2,1-2H3,(H,17,18)(H,13,16,19)
InChIKeyQNRZIBBKJGZIHB-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.65
Rot. Bonds5

About 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61329470) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61329470
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1
InChIInChI=1S/C12H21N3O5/c1-14(2)9-3-5-15(6-4-9)12(19)13-10(16)7-20-8-11(17)18/h9H,3-8H2,1-2H3,(H,17,18)(H,13,16,19)
InChIKeyQNRZIBBKJGZIHB-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]-2-oxoethoxy]acetic acid
CID 61329048
2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307
2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 104959235
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
2-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethoxy]acetic acid
CID 61328994
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380
(2S)-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]propanoic acid
CID 78967875
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
(E)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]but-2-enoic acid
CID 112746640
2-[2-[(4-ethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61468508

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid (CID 61329470) is 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is CN(C)C1CCN(C(=O)NC(=O)COCC(=O)O)CC1.
What is the InChIKey of 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is QNRZIBBKJGZIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14(2)9-3-5-15(6-4-9)12(19)13-10(16)7-20-8-11(17)18/h9H,3-8H2,1-2H3,(H,17,18)(H,13,16,19).
What are the key properties of 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).