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

C17H23NO5 — CID 169233072

IUPACmethyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](COC1CCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-21-16(19)15(12-22-14-9-5-6-10-14)18-17(20)23-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyQZEJTMLVHBVMSL-OAHLLOKOSA-N
MW321.37 g/mol
LogP2.41
Rot. Bonds7

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

methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 169233072) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID169233072
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@@H](COC1CCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-21-16(19)15(12-22-14-9-5-6-10-14)18-17(20)23-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m1/s1
InChIKeyQZEJTMLVHBVMSL-OAHLLOKOSA-N
XLogP2.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 170745120
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 11312025
methyl (2S)-3-(2,2-dimethylpropoxy)-2-(phenylmethoxycarbonylamino)propanoate
CID 69349416
methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
CID 169233741
methyl (2S)-5-cyclopropyl-4,4-difluoro-2-(phenylmethoxycarbonylamino)pentanoate
CID 58350203

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate (CID 169233072) is methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@@H](COC1CCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is QZEJTMLVHBVMSL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO5/c1-21-16(19)15(12-22-14-9-5-6-10-14)18-17(20)23-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m1/s1.
What are the key properties of methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 321.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 169233072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).