methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate

C14H25N3O5 — CID 178014024

IUPACmethyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)CCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O5/c1-14(2,3)22-13(20)15-8-11(18)17-7-6-16(4)9-10(17)12(19)21-5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m0/s1
InChIKeyOSNACAUOYDPNNW-JTQLQIEISA-N
MW315.37 g/mol
LogP-0.17
Rot. Bonds3

About methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate

methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate (PubChem CID 178014024) has the molecular formula C14H25N3O5 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate
PubChem CID178014024
Molecular FormulaC14H25N3O5
Molecular Weight315.37 g/mol
Exact Mass315.18
IUPAC Namemethyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(C)CCN1C(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H25N3O5/c1-14(2,3)22-13(20)15-8-11(18)17-7-6-16(4)9-10(17)12(19)21-5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m0/s1
InChIKeyOSNACAUOYDPNNW-JTQLQIEISA-N
XLogP-0.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 174279301
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
methyl 3-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 143350904
(2S)-1-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 13091071
tert-butyl N-[2-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 143329845
methyl 4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate;hydrochloride
CID 68515378
butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 118516527
[2-[[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamoyloxy]-2-methylpropyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 70944512
3,4-dihydro-1H-isoquinoline-2-carboxylic acid;ethane;methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate;2-methylpropane
CID 143354524
methyl 4-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-2-carboxylate
CID 72979082
[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 91309332
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate?
The IUPAC name of methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate (CID 178014024) is methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate is COC(=O)[C@@H]1CN(C)CCN1C(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate?
The InChIKey is OSNACAUOYDPNNW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N3O5/c1-14(2,3)22-13(20)15-8-11(18)17-7-6-16(4)9-10(17)12(19)21-5/h10H,6-9H2,1-5H3,(H,15,20)/t10-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate?
methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazine-2-carboxylate is sourced from PubChem (CID 178014024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).