2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid

C20H22N2O5 — CID 166295844

IUPAC2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(NC(=O)c1cnccc1C1OCCO1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O5/c1-13(16(19(24)25)11-14-5-3-2-4-6-14)22-18(23)17-12-21-8-7-15(17)20-26-9-10-27-20/h2-8,12-13,16,20H,9-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyHYVNSNXHPAJIPW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.19
Rot. Bonds7

About 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid

2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid (PubChem CID 166295844) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid
PubChem CID166295844
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid
SMILESCC(NC(=O)c1cnccc1C1OCCO1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H22N2O5/c1-13(16(19(24)25)11-14-5-3-2-4-6-14)22-18(23)17-12-21-8-7-15(17)20-26-9-10-27-20/h2-8,12-13,16,20H,9-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyHYVNSNXHPAJIPW-UHFFFAOYSA-N
XLogP2.19
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid with MolForge

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Related Compounds

4-(1,3-dioxolan-2-yl)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 166385809
2-benzyl-3-[(2-chloro-3-methylbenzoyl)amino]butanoic acid
CID 139013520
2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
3-[[(2S)-2-amino-3-carboxypropanoyl]amino]-2-benzylbutanoic acid
CID 67746832
4-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 102673766
methyl (2S,3R)-2-benzyl-3-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 129432504
3-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-4-carboxamide
CID 81442857
4-methyl-5-[(3-methyl-1-phenylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 146143201
2-benzyl-3-[[2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetyl]amino]butanoic acid
CID 166356836
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
CID 166310358

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid (CID 166295844) is 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid is CC(NC(=O)c1cnccc1C1OCCO1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid?
The InChIKey is HYVNSNXHPAJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(16(19(24)25)11-14-5-3-2-4-6-14)22-18(23)17-12-21-8-7-15(17)20-26-9-10-27-20/h2-8,12-13,16,20H,9-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid?
2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[4-(1,3-dioxolan-2-yl)pyridine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 166295844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).