4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid

C10H13N3O4 — CID 107214962

IUPAC4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H13N3O4/c14-6-2-1-3-13(4-6)9(15)7-8(10(16)17)12-5-11-7/h5-6,14H,1-4H2,(H,11,12)(H,16,17)/t6-/m0/s1
InChIKeyWVMMOYAQDZTKEH-LURJTMIESA-N
MW239.23 g/mol
LogP-0.30
Rot. Bonds2

About 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid

4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid (PubChem CID 107214962) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
PubChem CID107214962
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H13N3O4/c14-6-2-1-3-13(4-6)9(15)7-8(10(16)17)12-5-11-7/h5-6,14H,1-4H2,(H,11,12)(H,16,17)/t6-/m0/s1
InChIKeyWVMMOYAQDZTKEH-LURJTMIESA-N
XLogP-0.30
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 112624735
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)-1H-imidazole-5-carboxylic acid
CID 102888664
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 74241862
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211742
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 111824446
[1-(4-fluorophenyl)-4-hydroxypyrazol-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111969897
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-1H-imidazole-5-carboxylic acid
CID 107453672
2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid (CID 107214962) is 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is WVMMOYAQDZTKEH-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O4/c14-6-2-1-3-13(4-6)9(15)7-8(10(16)17)12-5-11-7/h5-6,14H,1-4H2,(H,11,12)(H,16,17)/t6-/m0/s1.
What are the key properties of 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid?
4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-hydroxypiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 107214962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).