tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid

C12H23N3O3 — CID 175810049

IUPACtert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
SMILESC[C@@H](C(=O)N1CCNCC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-9(15(11(17)18)12(2,3)4)10(16)14-7-5-13-6-8-14/h9,13H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeyBAQXIGHBXPEJKQ-VIFPVBQESA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds2

About tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid

tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid (PubChem CID 175810049) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
PubChem CID175810049
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
SMILESC[C@@H](C(=O)N1CCNCC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23N3O3/c1-9(15(11(17)18)12(2,3)4)10(16)14-7-5-13-6-8-14/h9,13H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeyBAQXIGHBXPEJKQ-VIFPVBQESA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid 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

(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
2-[methyl(piperazine-1-carbonyl)amino]propanoic acid
CID 62639572
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82041151
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
(2R)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 23656139
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid (CID 175810049) is tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid is C[C@@H](C(=O)N1CCNCC1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid?
The InChIKey is BAQXIGHBXPEJKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(15(11(17)18)12(2,3)4)10(16)14-7-5-13-6-8-14/h9,13H,5-8H2,1-4H3,(H,17,18)/t9-/m0/s1.
What are the key properties of tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid?
tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175810049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).