tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

C16H30N2O3 — CID 115537692

IUPACtert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCCCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-7-10-17-14(19)12(2)18-11-8-9-13(18)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m1/s1
InChIKeyZWMNLNXVKOSLCX-ZGTCLIOFSA-N
MW298.43 g/mol
LogP2.10
Rot. Bonds6

About tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (PubChem CID 115537692) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
PubChem CID115537692
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
SMILESCCCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-7-10-17-14(19)12(2)18-11-8-9-13(18)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m1/s1
InChIKeyZWMNLNXVKOSLCX-ZGTCLIOFSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-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

tert-butyl (2R)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537691
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254
methyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115536975
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
tert-butyl (2R)-1-[2-(butylamino)acetyl]pyrrolidine-2-carboxylate
CID 54275952
N-butyl-2-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539809
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate (CID 115537692) is tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is CCCCNC(=O)C(C)N1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
The InChIKey is ZWMNLNXVKOSLCX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-7-10-17-14(19)12(2)18-11-8-9-13(18)15(20)21-16(3,4)5/h12-13H,6-11H2,1-5H3,(H,17,19)/t12?,13-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[1-(butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115537692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).