(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid

C12H13N3O4 — CID 67020039

IUPAC(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid
SMILESO=C(O)NC1CCn2c(=O)[nH]c3cccc(c32)C1O
InChIInChI=1S/C12H13N3O4/c16-10-6-2-1-3-7-9(6)15(11(17)13-7)5-4-8(10)14-12(18)19/h1-3,8,10,14,16H,4-5H2,(H,13,17)(H,18,19)
InChIKeyQQYLXJCJQHQQBZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.40
Rot. Bonds1

About (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid

(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid (PubChem CID 67020039) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid.

Molecular Properties

Compound Name(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid
PubChem CID67020039
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid
SMILESO=C(O)NC1CCn2c(=O)[nH]c3cccc(c32)C1O
InChIInChI=1S/C12H13N3O4/c16-10-6-2-1-3-7-9(6)15(11(17)13-7)5-4-8(10)14-12(18)19/h1-3,8,10,14,16H,4-5H2,(H,13,17)(H,18,19)
InChIKeyQQYLXJCJQHQQBZ-UHFFFAOYSA-N
XLogP0.40
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-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

Related Compounds

(9R,10R)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;(9S,10S)-9-hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one;dihydrochloride
CID 76966266
(9R,10R)-9-hydroxy-10-[[(2R)-pentan-2-yl]amino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 59827850
tert-butyl-(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid
CID 69229703
(9R,10R)-10-[[(2R)-4-(4-aminophenyl)butan-2-yl]amino]-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 59755820
(9R,10R)-9-hydroxy-10-[4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ylamino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 24959088
(9R,10R)-9-hydroxy-10-[1-(6-oxo-1H-pyridin-2-yl)pentan-3-ylamino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 71096050
10-[4-(2-chloro-3-hydroxyphenyl)butan-2-ylamino]-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 67020135
(9R,10R)-10-[4-(4,5-difluoro-2-hydroxyphenyl)butan-2-ylamino]-9-hydroxy-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 59755827
9-hydroxy-10-[4-(1,3-thiazol-2-yl)butan-2-ylamino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 69229709
9-hydroxy-10-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 69310000
9-hydroxy-10-[4-(1,3-thiazol-5-yl)butan-2-ylamino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 69228812
(9R,10R)-9-hydroxy-10-[[(2R)-4-(1,3-thiazol-5-yl)butan-2-yl]amino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 24959083

Frequently Asked Questions

What is the IUPAC name of (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid?
The IUPAC name of (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid (CID 67020039) is (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid.
What is the SMILES notation for (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid?
The canonical SMILES for (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid is O=C(O)NC1CCn2c(=O)[nH]c3cccc(c32)C1O.
What is the InChIKey of (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid?
The InChIKey is QQYLXJCJQHQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-10-6-2-1-3-7-9(6)15(11(17)13-7)5-4-8(10)14-12(18)19/h1-3,8,10,14,16H,4-5H2,(H,13,17)(H,18,19).
What are the key properties of (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid?
(9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid has a molecular weight of 263.25 g/mol, XLogP of 0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hydroxy-2-oxo-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-10-yl)carbamic acid is sourced from PubChem (CID 67020039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).