(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione

C13H23N3O3 — CID 170368786

IUPAC(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione
SMILESCC(C)[C@H]1/C=C/C(=O)NCC[C@H](O)C[C@H](N)C(=O)N1
InChIInChI=1S/C13H23N3O3/c1-8(2)11-3-4-12(18)15-6-5-9(17)7-10(14)13(19)16-11/h3-4,8-11,17H,5-7,14H2,1-2H3,(H,15,18)(H,16,19)/b4-3+/t9-,10-,11+/m0/s1
InChIKeyNATBZXFEHNTRQU-MPZJWQKYSA-N
MW269.35 g/mol
LogP-0.72
Rot. Bonds1

About (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione

(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione (PubChem CID 170368786) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione.

Molecular Properties

Compound Name(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione
PubChem CID170368786
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC Name(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione
SMILESCC(C)[C@H]1/C=C/C(=O)NCC[C@H](O)C[C@H](N)C(=O)N1
InChIInChI=1S/C13H23N3O3/c1-8(2)11-3-4-12(18)15-6-5-9(17)7-10(14)13(19)16-11/h3-4,8-11,17H,5-7,14H2,1-2H3,(H,15,18)(H,16,19)/b4-3+/t9-,10-,11+/m0/s1
InChIKeyNATBZXFEHNTRQU-MPZJWQKYSA-N
XLogP-0.72
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione?
The IUPAC name of (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione (CID 170368786) is (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione.
What is the SMILES notation for (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione?
The canonical SMILES for (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione is CC(C)[C@H]1/C=C/C(=O)NCC[C@H](O)C[C@H](N)C(=O)N1.
What is the InChIKey of (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione?
The InChIKey is NATBZXFEHNTRQU-MPZJWQKYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)11-3-4-12(18)15-6-5-9(17)7-10(14)13(19)16-11/h3-4,8-11,17H,5-7,14H2,1-2H3,(H,15,18)(H,16,19)/b4-3+/t9-,10-,11+/m0/s1.
What are the key properties of (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione?
(3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione has a molecular weight of 269.35 g/mol, XLogP of -0.72, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5S,8S,10S)-8-amino-10-hydroxy-5-propan-2-yl-1,6-diazacyclododec-3-ene-2,7-dione is sourced from PubChem (CID 170368786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).