(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid

C10H13N3O4 — CID 28789825

IUPAC(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)12-7)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,17)/t6-/m1/s1
InChIKeyDHVBLTTYVLLNJT-ZCFIWIBFSA-N
MW239.23 g/mol
LogP-0.36
Rot. Bonds2

About (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 28789825) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID28789825
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)12-7)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,17)/t6-/m1/s1
InChIKeyDHVBLTTYVLLNJT-ZCFIWIBFSA-N
XLogP-0.36
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid (CID 28789825) is (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2c[nH]c(=O)[nH]2)C1.
What is the InChIKey of (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is DHVBLTTYVLLNJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8(7-4-11-10(17)12-7)13-3-1-2-6(5-13)9(15)16/h4,6H,1-3,5H2,(H,15,16)(H2,11,12,17)/t6-/m1/s1.
What are the key properties of (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28789825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).