(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H11N3O4 — CID 28789700

IUPAC(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O4/c13-7(5-4-10-9(16)11-5)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H,14,15)(H2,10,11,16)/t6-/m0/s1
InChIKeyKSTYCIYJMHLRMP-LURJTMIESA-N
MW225.20 g/mol
LogP-0.61
Rot. Bonds2

About (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28789700) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28789700
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O4/c13-7(5-4-10-9(16)11-5)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H,14,15)(H2,10,11,16)/t6-/m0/s1
InChIKeyKSTYCIYJMHLRMP-LURJTMIESA-N
XLogP-0.61
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 24695462
(6S)-4-oxo-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 126708175
1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
CID 142648152
1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
CID 158415115
(6S)-3-amino-8-methyl-4-oxo-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 178138909
(2S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182880
(2R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182882
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773312
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28773314
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789632
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789634
(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 28789700) is (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KSTYCIYJMHLRMP-LURJTMIESA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7(5-4-10-9(16)11-5)12-3-1-2-6(12)8(14)15/h4,6H,1-3H2,(H,14,15)(H2,10,11,16)/t6-/m0/s1.
What are the key properties of (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28789700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).