5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

C16H23N3O5 — CID 25339005

IUPAC5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C16H23N3O5/c1-16(2,7-14(21)22)6-13(20)19-8-12-10(17-9-18(12)3)5-11(19)15(23)24-4/h9,11H,5-8H2,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyRKKPTDNYVMUPIF-NSHDSACASA-N
MW337.38 g/mol
LogP0.74
Rot. Bonds5

About 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid

5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 25339005) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID25339005
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C16H23N3O5/c1-16(2,7-14(21)22)6-13(20)19-8-12-10(17-9-18(12)3)5-11(19)15(23)24-4/h9,11H,5-8H2,1-4H3,(H,21,22)/t11-/m0/s1
InChIKeyRKKPTDNYVMUPIF-NSHDSACASA-N
XLogP0.74
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid (CID 25339005) is 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is COC(=O)[C@@H]1Cc2ncn(C)c2CN1C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RKKPTDNYVMUPIF-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O5/c1-16(2,7-14(21)22)6-13(20)19-8-12-10(17-9-18(12)3)5-11(19)15(23)24-4/h9,11H,5-8H2,1-4H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid?
5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 337.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-6-methoxycarbonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 25339005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).