(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione

C12H20N4O3 — CID 155931774

IUPAC(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
SMILESC[C@@H]1/N=C\[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C12H20N4O3/c1-6-5-13-7(2)10(17)15-9(4)12(19)16-8(3)11(18)14-6/h5-9H,1-4H3,(H,14,18)(H,15,17)(H,16,19)/b13-5-/t6-,7-,8-,9-/m0/s1
InChIKeyWXIFWAJOTDGQQN-CZTHVZEESA-N
MW268.32 g/mol
LogP-1.03
Rot. Bonds

About (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione

(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione (PubChem CID 155931774) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione.

Molecular Properties

Compound Name(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
PubChem CID155931774
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione
SMILESC[C@@H]1/N=C\[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C12H20N4O3/c1-6-5-13-7(2)10(17)15-9(4)12(19)16-8(3)11(18)14-6/h5-9H,1-4H3,(H,14,18)(H,15,17)(H,16,19)/b13-5-/t6-,7-,8-,9-/m0/s1
InChIKeyWXIFWAJOTDGQQN-CZTHVZEESA-N
XLogP-1.03
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione 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-amino-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 14259918
L-Alaninamide, L-alanyl-L-alanyl-
CID 7019944
H-Ala-Ala-Ala-NHiPr
CID 155488645
Glycyl-alanyl-glycine-methyl-amide
CID 71351347
L-Alanyl-L-alanyl-L-alanine ethylamide
CID 542003
L-Alaninamide, L-alanyl-L-alanyl-N-ethyl-
CID 5496519
(2S)-2-amino-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 13750014
2-amino-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 14259917
2-amino-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]propanamide
CID 19378232
2-(methylamino)-N-[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 20622313
5-methyl-2,5-dihydro-1H-pyrazin-6-one
CID 22097245
4-acetyl-N-tert-butyl-3,5-dihydro-2H-pyrazine-5-carboxamide
CID 53707429

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione?
The IUPAC name of (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione (CID 155931774) is (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione.
What is the SMILES notation for (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione?
The canonical SMILES for (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione is C[C@@H]1/N=C\[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione?
The InChIKey is WXIFWAJOTDGQQN-CZTHVZEESA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6-5-13-7(2)10(17)15-9(4)12(19)16-8(3)11(18)14-6/h5-9H,1-4H3,(H,14,18)(H,15,17)(H,16,19)/b13-5-/t6-,7-,8-,9-/m0/s1.
What are the key properties of (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione?
(3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione has a molecular weight of 268.32 g/mol, XLogP of -1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,9S,12S)-3,6,9,12-tetramethyl-1,4,7,10-tetrazacyclododec-10-ene-2,5,8-trione is sourced from PubChem (CID 155931774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).