(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C10H13N3O6 — CID 64713518

IUPAC(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C10H13N3O6/c14-5-1-6(9(17)18)12(3-5)8(16)4-13-7(15)2-11-10(13)19/h5-6,14H,1-4H2,(H,11,19)(H,17,18)/t5-,6-/m0/s1
InChIKeySWIQTJGDTYNXGU-WDSKDSINSA-N
MW271.23 g/mol
LogP-2.42
Rot. Bonds3

About (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64713518) has the molecular formula C10H13N3O6 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64713518
Molecular FormulaC10H13N3O6
Molecular Weight271.23 g/mol
Exact Mass271.08
IUPAC Name(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C10H13N3O6/c14-5-1-6(9(17)18)12(3-5)8(16)4-13-7(15)2-11-10(13)19/h5-6,14H,1-4H2,(H,11,19)(H,17,18)/t5-,6-/m0/s1
InChIKeySWIQTJGDTYNXGU-WDSKDSINSA-N
XLogP-2.42
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024
(2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152118
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 28790215
(2S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61153555
3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
(2S,4R)-1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857642

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64713518) is (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is SWIQTJGDTYNXGU-WDSKDSINSA-N. The full InChI is InChI=1S/C10H13N3O6/c14-5-1-6(9(17)18)12(3-5)8(16)4-13-7(15)2-11-10(13)19/h5-6,14H,1-4H2,(H,11,19)(H,17,18)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of -2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64713518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).