(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate

C15H22N2O3 — CID 95636343

IUPAC(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
SMILESCc1c(N[C@H](C)C(C)C)cccc1C(=O)OCC(N)=O
InChIInChI=1S/C15H22N2O3/c1-9(2)11(4)17-13-7-5-6-12(10(13)3)15(19)20-8-14(16)18/h5-7,9,11,17H,8H2,1-4H3,(H2,16,18)/t11-/m1/s1
InChIKeyUJQZGZFZQPBUQV-LLVKDONJSA-N
MW278.35 g/mol
LogP2.09
Rot. Bonds6

About (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate

(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate (PubChem CID 95636343) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
PubChem CID95636343
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate
SMILESCc1c(N[C@H](C)C(C)C)cccc1C(=O)OCC(N)=O
InChIInChI=1S/C15H22N2O3/c1-9(2)11(4)17-13-7-5-6-12(10(13)3)15(19)20-8-14(16)18/h5-7,9,11,17H,8H2,1-4H3,(H2,16,18)/t11-/m1/s1
InChIKeyUJQZGZFZQPBUQV-LLVKDONJSA-N
XLogP2.09
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate with MolForge

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Related Compounds

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]benzoate
CID 95981764
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
2-methyl-3-[[(2S)-3-methylbutan-2-yl]amino]-N-(2H-tetrazol-5-yl)benzamide
CID 96523879
N-(3-aminobutyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119497813
N-(3-aminopropyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119407414
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348
2-methyl-N-[3-(methylamino)propyl]-3-(3-methylbutan-2-ylamino)benzamide;dihydrochloride
CID 119432416
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
ethyl 3-[(3-chloro-2-hydroxypropyl)amino]-2-methylbenzoate
CID 168636432
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2645595

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate (CID 95636343) is (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate is Cc1c(N[C@H](C)C(C)C)cccc1C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate?
The InChIKey is UJQZGZFZQPBUQV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)11(4)17-13-7-5-6-12(10(13)3)15(19)20-8-14(16)18/h5-7,9,11,17H,8H2,1-4H3,(H2,16,18)/t11-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate?
(2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-methyl-3-[[(2R)-3-methylbutan-2-yl]amino]benzoate is sourced from PubChem (CID 95636343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).