methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate

C15H19NO5 — CID 11426371

IUPACmethyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)[C@@H](CCCC=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)13(9-5-6-10-17)16-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyYWQZPOUPTXQLEG-CYBMUJFWSA-N
MW293.32 g/mol
LogP1.82
Rot. Bonds8

About methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate

methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate (PubChem CID 11426371) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
PubChem CID11426371
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
SMILESCOC(=O)[C@@H](CCCC=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-14(18)13(9-5-6-10-17)16-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyYWQZPOUPTXQLEG-CYBMUJFWSA-N
XLogP1.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
CID 66909168
7-O-benzyl 1-O-methyl (2S,6R)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate
CID 12045550
7-O-benzyl 1-O-methyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate;hydrochloride
CID 69169633
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
methyl 6,6,7,7,7-pentafluoro-2-(phenylmethoxycarbonylamino)heptanoate
CID 90115438
dimethyl (2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate
CID 10742285
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoate
CID 3679515
methyl (2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoate
CID 14488980
methyl (2S)-2-[[(2S)-2-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 129176054
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate?
The IUPAC name of methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate (CID 11426371) is methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate?
The canonical SMILES for methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate is COC(=O)[C@@H](CCCC=O)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate?
The InChIKey is YWQZPOUPTXQLEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-14(18)13(9-5-6-10-17)16-15(19)21-11-12-7-3-2-4-8-12/h2-4,7-8,10,13H,5-6,9,11H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate?
methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate has a molecular weight of 293.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 11426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).