[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

C15H23N3O4 — CID 155282439

IUPAC[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)C
InChIInChI=1S/C15H23N3O4/c1-11(2)9-22-15(20)18(4)14-12(6-5-7-17-14)10-21-13(19)8-16-3/h5-7,11,16H,8-10H2,1-4H3
InChIKeySSJDZPTZPPVCOV-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.57
Rot. Bonds7

About [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate

[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (PubChem CID 155282439) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.

Molecular Properties

Compound Name[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
PubChem CID155282439
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
SMILESCNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)C
InChIInChI=1S/C15H23N3O4/c1-11(2)9-22-15(20)18(4)14-12(6-5-7-17-14)10-21-13(19)8-16-3/h5-7,11,16H,8-10H2,1-4H3
InChIKeySSJDZPTZPPVCOV-UHFFFAOYSA-N
XLogP1.57
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 142619400
[2-[1-(1-ethyl-1,2,4-triazol-4-ium-4-yl)ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 175673822
ethane;3-[ethoxycarbonyl(methyl)amino]propyl acetate;[2-[methyl(propan-2-yloxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 158658709
[2-[1-chloroethoxycarbonyl(methyl)amino]-3-pyridinyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 137471335
CID 89221523
CID 89221523
[2-[1-[4-[(2,4-difluorophenyl)carbamoyl]-5-fluorotriazol-2-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 154649917
[2-[[4-[(2-chloro-4-methylphenyl)carbamoyl]triazol-2-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 158820689
[2-[[5-[(3,4-dichlorophenyl)carbamoyl]-2-methoxyanilino]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 155782146
[2-[1-[4-bromo-5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 157407799
[2-[[5-chloro-3-[(2-chloro-4-methylphenyl)carbamoyl]-4-fluoropyrazol-1-yl]methoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate
CID 158159744
chloromethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate
CID 142619302
1-[methyl-[3-[[2-(methylamino)acetyl]oxymethyl]-2-pyridinyl]carbamoyl]oxyethyl (3S)-3-[4-[bis(2-methylpropyl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]pentanoate;dihydrochloride
CID 156628861

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The IUPAC name of [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate (CID 155282439) is [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate.
What is the SMILES notation for [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The canonical SMILES for [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is CNCC(=O)OCc1cccnc1N(C)C(=O)OCC(C)C.
What is the InChIKey of [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
The InChIKey is SSJDZPTZPPVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11(2)9-22-15(20)18(4)14-12(6-5-7-17-14)10-21-13(19)8-16-3/h5-7,11,16H,8-10H2,1-4H3.
What are the key properties of [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate?
[2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate has a molecular weight of 309.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-methylpropoxycarbonyl)amino]-3-pyridinyl]methyl 2-(methylamino)acetate is sourced from PubChem (CID 155282439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).