tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

C20H28N4O6 — CID 91648035

IUPACtert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H28N4O6/c1-20(2,3)30-19(28)24-10-4-5-15(24)18(27)22-11-17(26)23-13-6-8-14(9-7-13)29-12-16(21)25/h6-9,15H,4-5,10-12H2,1-3H3,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyRXRCIDUKUHCJQA-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.00
Rot. Bonds7

About tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91648035) has the molecular formula C20H28N4O6 and a molecular weight of 420.47 g/mol. Its IUPAC name is tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91648035
Molecular FormulaC20H28N4O6
Molecular Weight420.47 g/mol
Exact Mass420.20
IUPAC Nametert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C20H28N4O6/c1-20(2,3)30-19(28)24-10-4-5-15(24)18(27)22-11-17(26)23-13-6-8-14(9-7-13)29-12-16(21)25/h6-9,15H,4-5,10-12H2,1-3H3,(H2,21,25)(H,22,27)(H,23,26)
InChIKeyRXRCIDUKUHCJQA-UHFFFAOYSA-N
XLogP1.00
TPSA140.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-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 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 110625462
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711
tert-butyl 2-[(4-ethoxycarbonylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110426719
tert-butyl (2S)-2-[[4-(hydroxymethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 172641100
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
tert-butyl 2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 68805308
tert-butyl (2S)-2-[(4-cyanophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 11922845
tert-butyl (2S)-2-[[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 95284264
tert-butyl (2S)-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 39683346

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate (CID 91648035) is tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is RXRCIDUKUHCJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O6/c1-20(2,3)30-19(28)24-10-4-5-15(24)18(27)22-11-17(26)23-13-6-8-14(9-7-13)29-12-16(21)25/h6-9,15H,4-5,10-12H2,1-3H3,(H2,21,25)(H,22,27)(H,23,26).
What are the key properties of tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[4-(2-amino-2-oxoethoxy)anilino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91648035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).