methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate

C17H23NO6 — CID 11473174

IUPACmethyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@H](CCCC1OCCO1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO6/c1-21-16(19)14(8-5-9-15-22-10-11-23-15)18-17(20)24-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyGRNJZCQXLAHJIN-AWEZNQCLSA-N
MW337.37 g/mol
LogP2.00
Rot. Bonds8

About methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate

methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 11473174) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate
PubChem CID11473174
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namemethyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate
SMILESCOC(=O)[C@H](CCCC1OCCO1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO6/c1-21-16(19)14(8-5-9-15-22-10-11-23-15)18-17(20)24-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyGRNJZCQXLAHJIN-AWEZNQCLSA-N
XLogP2.00
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
Benzyl 2-{[(2,2-dimethoxyethyl)amino]carbonyl}pyrrolidine-1-carboxylate
CID 5122552
(S)-Benzyl (2-oxotetrahydrofuran-3-yl)carbamate
CID 489185
Leucine, N-carboxy-, N-benzyl 1-vinyl ester
CID 3048969
methyl glycyl-N~6~-[(benzyloxy)carbonyl]lysinate
CID 6602836
benzyl N-[1-[[1-(2,2-diethoxyethylamino)-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353606
Cbz-Ala-Gly-Pro-OMe
CID 155545723
prop-2-enyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 11121331
Z-Nle-OH
CID 6993403
(S)-Methyl 6-amino-2-(((benzyloxy)carbonyl)amino)hexanoate hydrochloride
CID 11977230
Carbobenzyloxy-DL-norleucylglycine ethyl ester
CID 315207

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate (CID 11473174) is methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate is COC(=O)[C@H](CCCC1OCCO1)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is GRNJZCQXLAHJIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO6/c1-21-16(19)14(8-5-9-15-22-10-11-23-15)18-17(20)24-12-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate?
methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 337.37 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-(1,3-dioxolan-2-yl)-2-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 11473174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).