tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate

C15H23NO3 — CID 150504072

IUPACtert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
SMILESCOC[C@H](C)Nc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(10-18-5)16-13-9-7-6-8-12(13)14(17)19-15(2,3)4/h6-9,11,16H,10H2,1-5H3/t11-/m0/s1
InChIKeyHYKSMEKMCRGFTA-NSHDSACASA-N
MW265.35 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate

tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate (PubChem CID 150504072) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate.

Molecular Properties

Compound Nametert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
PubChem CID150504072
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
SMILESCOC[C@H](C)Nc1ccccc1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(10-18-5)16-13-9-7-6-8-12(13)14(17)19-15(2,3)4/h6-9,11,16H,10H2,1-5H3/t11-/m0/s1
InChIKeyHYKSMEKMCRGFTA-NSHDSACASA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
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CID 71111006
CID 71111006
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
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methyl 5-fluoro-2-(1-methoxypropan-2-ylamino)benzoate
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2-chloro-N-(1-methoxypropan-2-yl)aniline
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methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
tert-butyl 2-fluorosulfanylbenzoate
CID 175320456
methyl 2,3-difluoro-4-(1-methoxypropan-2-ylamino)benzoate
CID 79838264
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate?
The IUPAC name of tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate (CID 150504072) is tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate.
What is the SMILES notation for tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate?
The canonical SMILES for tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate is COC[C@H](C)Nc1ccccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate?
The InChIKey is HYKSMEKMCRGFTA-NSHDSACASA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(10-18-5)16-13-9-7-6-8-12(13)14(17)19-15(2,3)4/h6-9,11,16H,10H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate?
tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate has a molecular weight of 265.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate is sourced from PubChem (CID 150504072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).