methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate

C14H25N3O4 — CID 124823842

IUPACmethyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate
SMILESCCC[C@H](C)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OC
InChIInChI=1S/C14H25N3O4/c1-4-5-10(2)16-12(18)9-17-7-6-15-14(20)11(17)8-13(19)21-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,18)/t10-,11+/m0/s1
InChIKeyAUZSCBWBUCJONL-WDEREUQCSA-N
MW299.37 g/mol
LogP-0.35
Rot. Bonds7

About methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate

methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate (PubChem CID 124823842) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate
PubChem CID124823842
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Namemethyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate
SMILESCCC[C@H](C)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OC
InChIInChI=1S/C14H25N3O4/c1-4-5-10(2)16-12(18)9-17-7-6-15-14(20)11(17)8-13(19)21-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,18)/t10-,11+/m0/s1
InChIKeyAUZSCBWBUCJONL-WDEREUQCSA-N
XLogP-0.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820560
methyl 2-[3-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-2-yl]acetate
CID 47010478
methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]piperazin-2-yl]acetate
CID 98598564
methyl 2-[(2R)-1-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 39975651
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174
methyl 2-[1-[2-(3-iodoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820582
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
methyl 2-[1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46614504
methyl 2-[(2R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561434
methyl 2-[(2S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560991
methyl 2-[(2R)-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 29232532
propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819590

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate (CID 124823842) is methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate is CCC[C@H](C)NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate?
The InChIKey is AUZSCBWBUCJONL-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-5-10(2)16-12(18)9-17-7-6-15-14(20)11(17)8-13(19)21-3/h10-11H,4-9H2,1-3H3,(H,15,20)(H,16,18)/t10-,11+/m0/s1.
What are the key properties of methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate?
methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate has a molecular weight of 299.37 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-3-oxo-1-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-2-yl]acetate is sourced from PubChem (CID 124823842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).