(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid

C12H17N3O5 — CID 66263121

IUPAC(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)O)C1=O
InChIInChI=1S/C12H17N3O5/c1-13-6-9(16)15(12(13)20)7-10(17)14-5-3-2-4-8(14)11(18)19/h8H,2-7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyHGWUGHYVGLCRSC-QMMMGPOBSA-N
MW283.28 g/mol
LogP-0.65
Rot. Bonds3

About (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 66263121) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID66263121
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESCN1CC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)O)C1=O
InChIInChI=1S/C12H17N3O5/c1-13-6-9(16)15(12(13)20)7-10(17)14-5-3-2-4-8(14)11(18)19/h8H,2-7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyHGWUGHYVGLCRSC-QMMMGPOBSA-N
XLogP-0.65
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 66260935
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077
1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125154868
3-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 118771308
(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
3-[2-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 56797827
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid (CID 66263121) is (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid is CN1CC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)O)C1=O.
What is the InChIKey of (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is HGWUGHYVGLCRSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-13-6-9(16)15(12(13)20)7-10(17)14-5-3-2-4-8(14)11(18)19/h8H,2-7H2,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66263121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).