methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate

C14H19NO5 — CID 66909168

IUPACmethyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@@H](CCCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-19-13(17)12(8-5-9-16)15-14(18)20-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyUIAUGRQODAHAKA-GFCCVEGCSA-N
MW281.31 g/mol
LogP1.23
Rot. Bonds7

About methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate

methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 66909168) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID66909168
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@@H](CCCO)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO5/c1-19-13(17)12(8-5-9-16)15-14(18)20-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyUIAUGRQODAHAKA-GFCCVEGCSA-N
XLogP1.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl (2R)-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate
CID 11426371
7-O-benzyl 1-O-methyl (2S,6R)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate
CID 12045550
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
7-O-benzyl 1-O-methyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)heptanedioate;hydrochloride
CID 69169633
dimethyl (2R,6S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate
CID 10742285
methyl 6,6,7,7,7-pentafluoro-2-(phenylmethoxycarbonylamino)heptanoate
CID 90115438
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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate (CID 66909168) is methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate is COC(=O)[C@@H](CCCO)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is UIAUGRQODAHAKA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-13(17)12(8-5-9-16)15-14(18)20-10-11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate?
methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 281.31 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 66909168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).