methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate

C15H19NO5 — CID 118284148

IUPACmethyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)OCc1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO5/c1-11(17)15(2,9-13(18)20-3)16-14(19)21-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyFUTLOPOALRYZRB-OAHLLOKOSA-N
MW293.32 g/mol
LogP1.82
Rot. Bonds6

About methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate

methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 118284148) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
PubChem CID118284148
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)C[C@@](C)(NC(=O)OCc1ccccc1)C(C)=O
InChIInChI=1S/C15H19NO5/c1-11(17)15(2,9-13(18)20-3)16-14(19)21-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,19)/t15-/m1/s1
InChIKeyFUTLOPOALRYZRB-OAHLLOKOSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-iodo-2-methyl-3-oxobutan-2-yl]carbamate
CID 170047674
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
(2S)-4-chloro-2-methyl-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 87094408
methyl 2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 101462496
benzyl N-[(2R)-1-(tert-butylamino)-2-methyl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11152854
benzyl N-(1-bromo-3-methyl-2-oxopentan-3-yl)carbamate
CID 104701636
ethyl 2-acetamido-2-(phenylmethoxycarbonylamino)propanoate
CID 86743096
methyl (2S)-5,5-dichloro-2-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 167527436
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate (CID 118284148) is methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate is COC(=O)C[C@@](C)(NC(=O)OCc1ccccc1)C(C)=O.
What is the InChIKey of methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is FUTLOPOALRYZRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NO5/c1-11(17)15(2,9-13(18)20-3)16-14(19)21-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,16,19)/t15-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate?
methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 293.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 118284148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).