tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate

C15H22N2O4 — CID 90051746

IUPACtert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
SMILESC[C@@H](C(=O)Nc1cccc(O)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(17(5)14(20)21-15(2,3)4)13(19)16-11-7-6-8-12(18)9-11/h6-10,18H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyNQMADTGNTVAAFO-JTQLQIEISA-N
MW294.35 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate

tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate (PubChem CID 90051746) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
PubChem CID90051746
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate
SMILESC[C@@H](C(=O)Nc1cccc(O)c1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-10(17(5)14(20)21-15(2,3)4)13(19)16-11-7-6-8-12(18)9-11/h6-10,18H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyNQMADTGNTVAAFO-JTQLQIEISA-N
XLogP2.59
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-methyl-N-[(2S)-1-oxo-1-(3-phenylmethoxyanilino)propan-2-yl]carbamate;3-phenylmethoxyaniline
CID 160750321
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039
2,2-difluoro-N-(3-hydroxyphenyl)acetamide
CID 103600554
tert-butyl N-[(2S)-1-[3-[(4-bromophenyl)sulfonylamino]-4-methoxyanilino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 86643395
tert-butyl N-methyl-N-[(2S)-1-oxo-1-[3-[[4-(propylamino)-2-(pyridin-4-ylcarbamoylamino)pyrimidine-5-carbonyl]amino]anilino]propan-2-yl]carbamate
CID 90052585
methyl (2S)-5-(3-hydroxyanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 10617971
tert-butyl N-[(2S)-1-[3-[[2-(3-fluoroanilino)-4-(propylamino)pyrimidin-5-yl]methylamino]anilino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 90051751
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate (CID 90051746) is tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate is C[C@@H](C(=O)Nc1cccc(O)c1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate?
The InChIKey is NQMADTGNTVAAFO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(17(5)14(20)21-15(2,3)4)13(19)16-11-7-6-8-12(18)9-11/h6-10,18H,1-5H3,(H,16,19)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate?
tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate has a molecular weight of 294.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(3-hydroxyanilino)-1-oxopropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 90051746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).