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

C17H23NO5 — CID 169233741

IUPACmethyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CNC(=O)OCc1ccccc1)OC1CCCC1
InChIInChI=1S/C17H23NO5/c1-21-16(19)15(23-14-9-5-6-10-14)11-18-17(20)22-12-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyAVMUCPMKWCRNBT-HNNXBMFYSA-N
MW321.37 g/mol
LogP2.41
Rot. Bonds7

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

methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 169233741) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID169233741
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CNC(=O)OCc1ccccc1)OC1CCCC1
InChIInChI=1S/C17H23NO5/c1-21-16(19)15(23-14-9-5-6-10-14)11-18-17(20)22-12-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyAVMUCPMKWCRNBT-HNNXBMFYSA-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

methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
CID 153440550
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
methyl 3,3-dicyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 168869008

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate (CID 169233741) is methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@H](CNC(=O)OCc1ccccc1)OC1CCCC1.
What is the InChIKey of methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is AVMUCPMKWCRNBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-21-16(19)15(23-14-9-5-6-10-14)11-18-17(20)22-12-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate?
methyl (2S)-2-cyclopentyloxy-3-(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 (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 169233741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).