tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate

C19H30F3N3O6 — CID 67862430

IUPACtert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate
SMILESCOC(C)C(NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C19H30F3N3O6/c1-11(30-5)14(15(27)19(20,21)22)24-16(28)12-7-6-10-25(12)13(26)8-9-23-17(29)31-18(2,3)4/h11-12,14H,6-10H2,1-5H3,(H,23,29)(H,24,28)/t11?,12-,14?/m0/s1
InChIKeyNNMVMYZDEMGTAK-LXVYMNJGSA-N
MW453.46 g/mol
LogP1.54
Rot. Bonds8

About tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate

tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate (PubChem CID 67862430) has the molecular formula C19H30F3N3O6 and a molecular weight of 453.46 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate
PubChem CID67862430
Molecular FormulaC19H30F3N3O6
Molecular Weight453.46 g/mol
Exact Mass453.21
IUPAC Nametert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate
SMILESCOC(C)C(NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)OC(C)(C)C)C(=O)C(F)(F)F
InChIInChI=1S/C19H30F3N3O6/c1-11(30-5)14(15(27)19(20,21)22)24-16(28)12-7-6-10-25(12)13(26)8-9-23-17(29)31-18(2,3)4/h11-12,14H,6-10H2,1-5H3,(H,23,29)(H,24,28)/t11?,12-,14?/m0/s1
InChIKeyNNMVMYZDEMGTAK-LXVYMNJGSA-N
XLogP1.54
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate (CID 67862430) is tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate is COC(C)C(NC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)OC(C)(C)C)C(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate?
The InChIKey is NNMVMYZDEMGTAK-LXVYMNJGSA-N. The full InChI is InChI=1S/C19H30F3N3O6/c1-11(30-5)14(15(27)19(20,21)22)24-16(28)12-7-6-10-25(12)13(26)8-9-23-17(29)31-18(2,3)4/h11-12,14H,6-10H2,1-5H3,(H,23,29)(H,24,28)/t11?,12-,14?/m0/s1.
What are the key properties of tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate?
tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate has a molecular weight of 453.46 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[(2S)-2-[(1,1,1-trifluoro-4-methoxy-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]propyl]carbamate is sourced from PubChem (CID 67862430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).