methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate

C20H24N2O3 — CID 25132166

IUPACmethyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
SMILESCC[C@@H]1NCCN([C@@H](Cc2ccc3ccccc3c2)C(=O)OC)C1=O
InChIInChI=1S/C20H24N2O3/c1-3-17-19(23)22(11-10-21-17)18(20(24)25-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17-18,21H,3,10-11,13H2,1-2H3/t17-,18-/m0/s1
InChIKeyLYNHQOCAXBNNCR-ROUUACIJSA-N
MW340.42 g/mol
LogP2.13
Rot. Bonds5

About methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate

methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate (PubChem CID 25132166) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
PubChem CID25132166
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
SMILESCC[C@@H]1NCCN([C@@H](Cc2ccc3ccccc3c2)C(=O)OC)C1=O
InChIInChI=1S/C20H24N2O3/c1-3-17-19(23)22(11-10-21-17)18(20(24)25-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17-18,21H,3,10-11,13H2,1-2H3/t17-,18-/m0/s1
InChIKeyLYNHQOCAXBNNCR-ROUUACIJSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate
CID 25132165
methyl (2S)-2-(4,7-diazaspiro[2.5]octan-7-yl)-3-naphthalen-2-ylpropanoate
CID 134591477
tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]-3-phenylpropanoate
CID 10502137
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-propylpiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 11756364
2-[3-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 141087632
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
CID 101149454
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119325143
(2S)-2-[(3S)-4-[(2R)-2-amino-3-(4-fluorophenyl)propanoyl]-3-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-N-methyl-3-naphthalen-2-ylpropanamide
CID 58737071
(2R)-2-bromo-3-naphthalen-2-ylpropanoic acid;methane;methanol;methyl (2R)-2-bromo-3-naphthalen-2-ylpropanoate
CID 160827622
methyl (2R)-2-isocyanato-3-naphthalen-2-ylpropanoate
CID 147583826

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate (CID 25132166) is methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate is CC[C@@H]1NCCN([C@@H](Cc2ccc3ccccc3c2)C(=O)OC)C1=O.
What is the InChIKey of methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
The InChIKey is LYNHQOCAXBNNCR-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-17-19(23)22(11-10-21-17)18(20(24)25-2)13-14-8-9-15-6-4-5-7-16(15)12-14/h4-9,12,17-18,21H,3,10-11,13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate?
methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate has a molecular weight of 340.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3S)-3-ethyl-2-oxopiperazin-1-yl]-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 25132166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).