3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid

C10H14N4O3 — CID 22556950

IUPAC3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C10H14N4O3/c11-6(3-9(15)16)10(17)14-2-1-7-8(4-14)13-5-12-7/h5-6H,1-4,11H2,(H,12,13)(H,15,16)
InChIKeyIIHKIQZAEPCQOM-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.90
Rot. Bonds3

About 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid

3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid (PubChem CID 22556950) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid
PubChem CID22556950
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid
SMILESNC(CC(=O)O)C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C10H14N4O3/c11-6(3-9(15)16)10(17)14-2-1-7-8(4-14)13-5-12-7/h5-6H,1-4,11H2,(H,12,13)(H,15,16)
InChIKeyIIHKIQZAEPCQOM-UHFFFAOYSA-N
XLogP-0.90
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 131000303
(2S)-2-amino-3-(1H-indol-3-yl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one;dihydrochloride
CID 154901094
2-chloro-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 131057090
N-methyl-N-sulfanyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 57079776
2,2,4,4-tetramethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)pentan-1-one
CID 143098139
(2R)-2-(4-methylphenyl)sulfanyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 97189345
trifluoromethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 142926418
N'-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboximidamide
CID 21330726
(3,5-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 150004835
cyclohexylmethyl 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 20803093
N-(2-aminophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 89183129
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72886103

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid (CID 22556950) is 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid is NC(CC(=O)O)C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid?
The InChIKey is IIHKIQZAEPCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-6(3-9(15)16)10(17)14-2-1-7-8(4-14)13-5-12-7/h5-6H,1-4,11H2,(H,12,13)(H,15,16).
What are the key properties of 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid?
3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid has a molecular weight of 238.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butanoic acid is sourced from PubChem (CID 22556950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).