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

C18H19NO4 — CID 11833969

IUPACmethyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-22-17(20)12-16(15-10-6-3-7-11-15)19-18(21)23-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCWWDOSGINLYWIK-MRXNPFEDSA-N
MW313.35 g/mol
LogP3.22
Rot. Bonds6

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

methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11833969) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID11833969
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-22-17(20)12-16(15-10-6-3-7-11-15)19-18(21)23-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyCWWDOSGINLYWIK-MRXNPFEDSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(phenylmethoxycarbonylamino)carbamate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 143223921
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 71742201
methyl 4-amino-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 11076827
(3R)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 7062378
benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
methyl (3R,4S)-3-hydroxy-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 139247104
[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] methanesulfonate
CID 142462159

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate (CID 11833969) is methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is COC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is CWWDOSGINLYWIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-17(20)12-16(15-10-6-3-7-11-15)19-18(21)23-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate?
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 313.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11833969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).