tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid

C20H29N3O3 — CID 69439519

IUPACtert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCN(C)C1CCc2cc(N3CC[C@H](N(C(=O)O)C(C)(C)C)C3=O)ccc21
InChIInChI=1S/C20H29N3O3/c1-20(2,3)23(19(25)26)17-10-11-22(18(17)24)14-7-8-15-13(12-14)6-9-16(15)21(4)5/h7-8,12,16-17H,6,9-11H2,1-5H3,(H,25,26)/t16?,17-/m0/s1
InChIKeyRZLFEILBOUVOJR-DJNXLDHESA-N
MW359.47 g/mol
LogP3.12
Rot. Bonds3

About tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid

tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid (PubChem CID 69439519) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid
PubChem CID69439519
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Nametert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid
SMILESCN(C)C1CCc2cc(N3CC[C@H](N(C(=O)O)C(C)(C)C)C3=O)ccc21
InChIInChI=1S/C20H29N3O3/c1-20(2,3)23(19(25)26)17-10-11-22(18(17)24)14-7-8-15-13(12-14)6-9-16(15)21(4)5/h7-8,12,16-17H,6,9-11H2,1-5H3,(H,25,26)/t16?,17-/m0/s1
InChIKeyRZLFEILBOUVOJR-DJNXLDHESA-N
XLogP3.12
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid (CID 69439519) is tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid is CN(C)C1CCc2cc(N3CC[C@H](N(C(=O)O)C(C)(C)C)C3=O)ccc21.
What is the InChIKey of tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
The InChIKey is RZLFEILBOUVOJR-DJNXLDHESA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)23(19(25)26)17-10-11-22(18(17)24)14-7-8-15-13(12-14)6-9-16(15)21(4)5/h7-8,12,16-17H,6,9-11H2,1-5H3,(H,25,26)/t16?,17-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid?
tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid has a molecular weight of 359.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 69439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).