tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate

C16H24O3 — CID 134963822

IUPACtert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
SMILESCC[C@H](COCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O3/c1-5-14(15(17)19-16(2,3)4)12-18-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-/m1/s1
InChIKeyBQIOMHPQDWIOOO-CQSZACIVSA-N
MW264.36 g/mol
LogP3.57
Rot. Bonds6

About tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate

tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate (PubChem CID 134963822) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
PubChem CID134963822
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nametert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
SMILESCC[C@H](COCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24O3/c1-5-14(15(17)19-16(2,3)4)12-18-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-/m1/s1
InChIKeyBQIOMHPQDWIOOO-CQSZACIVSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
CID 71433233
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
5-O-benzyl 1-O-methyl (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethyl)pentanedioate
CID 90340953
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
methyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-3-phenylmethoxypropanoate
CID 67023671
1-O-benzyl 8-O-tert-butyl 2-ethyloctanedioate
CID 175166959
methyl (2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylmethoxypropanoate
CID 131739575
ditert-butyl (2S)-2-benzylbutanedioate
CID 148503318
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate?
The IUPAC name of tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate (CID 134963822) is tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate.
What is the SMILES notation for tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate?
The canonical SMILES for tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate is CC[C@H](COCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate?
The InChIKey is BQIOMHPQDWIOOO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-14(15(17)19-16(2,3)4)12-18-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate?
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate has a molecular weight of 264.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate is sourced from PubChem (CID 134963822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).