[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid

C16H23N3O6 — CID 22645630

IUPAC[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid
SMILESCC(=O)OC(c1cccnc1NC(=O)O)N(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O6/c1-10(20)24-14(19(5)9-12(21)25-16(2,3)4)11-7-6-8-17-13(11)18-15(22)23/h6-8,14H,9H2,1-5H3,(H,17,18)(H,22,23)
InChIKeyZUAWAMVRCRZXJN-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.01
Rot. Bonds6

About [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid

[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid (PubChem CID 22645630) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid
PubChem CID22645630
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid
SMILESCC(=O)OC(c1cccnc1NC(=O)O)N(C)CC(=O)OC(C)(C)C
InChIInChI=1S/C16H23N3O6/c1-10(20)24-14(19(5)9-12(21)25-16(2,3)4)11-7-6-8-17-13(11)18-15(22)23/h6-8,14H,9H2,1-5H3,(H,17,18)(H,22,23)
InChIKeyZUAWAMVRCRZXJN-UHFFFAOYSA-N
XLogP2.01
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl 6-((tert-butoxycarbonyl)amino)nicotinate
CID 2764194
tert-Butyl 5-(hydroxymethyl)pyridin-2-ylcarbamate
CID 3575389
Ethyl 6-(((tert-butoxy)carbonyl)amino)pyridine-3-carboxylate
CID 21879719
N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycine (2-(methylamino)-3-pyridinyl)methyl ester
CID 118704864
1',2'-Dihydrospiro(azetidine-3,4'-pyrido(2,3-d)(1,3)oxazine)-2'-one; trifluoroacetic acid
CID 165946296
N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine
CID 137796747
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 11281469
[2-(Boc-amino)-4-fluoropyridin-3-yl]methanol
CID 89656375
Ethyl 6-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholin-4-yl]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 91504982
tert-butyl N-[4-fluoro-3-(methoxymethyl)-2-pyridinyl]carbamate
CID 130330700
3-[5-(Methoxymethyl)-2-pyridinyl]-1-methyl-1-(piperidin-4-ylmethyl)urea;2,2,2-trifluoroacetic acid
CID 171487652
[4-Fluoro-2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 171759263

Frequently Asked Questions

What is the IUPAC name of [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid?
The IUPAC name of [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid (CID 22645630) is [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid.
What is the SMILES notation for [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid?
The canonical SMILES for [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid is CC(=O)OC(c1cccnc1NC(=O)O)N(C)CC(=O)OC(C)(C)C.
What is the InChIKey of [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid?
The InChIKey is ZUAWAMVRCRZXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-10(20)24-14(19(5)9-12(21)25-16(2,3)4)11-7-6-8-17-13(11)18-15(22)23/h6-8,14H,9H2,1-5H3,(H,17,18)(H,22,23).
What are the key properties of [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid?
[3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid has a molecular weight of 353.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyloxy-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]carbamic acid is sourced from PubChem (CID 22645630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).