benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate

C22H27NO5 — CID 153440550

IUPACbenzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
SMILESCC(C)(C)O[C@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)28-19(20(24)26-15-17-10-6-4-7-11-17)14-23-21(25)27-16-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyMCRMRZLGBRFWEZ-LJQANCHMSA-N
MW385.46 g/mol
LogP3.84
Rot. Bonds8

About benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate

benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 153440550) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID153440550
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Namebenzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
SMILESCC(C)(C)O[C@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H27NO5/c1-22(2,3)28-19(20(24)26-15-17-10-6-4-7-11-17)14-23-21(25)27-16-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyMCRMRZLGBRFWEZ-LJQANCHMSA-N
XLogP3.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl (2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoate
CID 124930565
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
(2S)-3-methyl-3-phenyl-2-(phenylmethoxycarbonylaminomethyl)butanoic acid
CID 156758866
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
benzyl 2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 123691053
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate (CID 153440550) is benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate is CC(C)(C)O[C@H](CNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is MCRMRZLGBRFWEZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2,3)28-19(20(24)26-15-17-10-6-4-7-11-17)14-23-21(25)27-16-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,23,25)/t19-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate?
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 385.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 153440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).