methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

C19H21NO4 — CID 140762631

IUPACmethyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(17(21)23-2,13-15-9-5-3-6-10-15)20-18(22)24-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyIXOHCQPWOGFTLY-LJQANCHMSA-N
MW327.38 g/mol
LogP3.09
Rot. Bonds6

About methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 140762631) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID140762631
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-19(17(21)23-2,13-15-9-5-3-6-10-15)20-18(22)24-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,22)/t19-/m1/s1
InChIKeyIXOHCQPWOGFTLY-LJQANCHMSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
methyl (2S)-5,5-dichloro-2-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 167527436
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501
(2S)-4,4-difluoro-2-methyl-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 66660816
methyl 3-hydroxy-2-(hydroxymethyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 86193669
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
methyl 2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 101462496
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate
CID 100978063
methyl (2S)-2-benzyl-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 18648848
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 140762631) is methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is IXOHCQPWOGFTLY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(17(21)23-2,13-15-9-5-3-6-10-15)20-18(22)24-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,20,22)/t19-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 140762631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).