(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid

C20H23N2O3P — CID 159270901

IUPAC(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid
SMILESNCC1C2CN(P)CC12.O=C(O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H10O3.C6H13N2P/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;7-1-4-5-2-8(9)3-6(4)5/h1-8,13H,(H,15,16);4-6H,1-3,7,9H2
InChIKeyKXRWNNXAWREJAP-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.92
Rot. Bonds2

About (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid

(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid (PubChem CID 159270901) has the molecular formula C20H23N2O3P and a molecular weight of 370.39 g/mol. Its IUPAC name is (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid.

Molecular Properties

Compound Name(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid
PubChem CID159270901
Molecular FormulaC20H23N2O3P
Molecular Weight370.39 g/mol
Exact Mass370.14
IUPAC Name(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid
SMILESNCC1C2CN(P)CC12.O=C(O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C14H10O3.C6H13N2P/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;7-1-4-5-2-8(9)3-6(4)5/h1-8,13H,(H,15,16);4-6H,1-3,7,9H2
InChIKeyKXRWNNXAWREJAP-UHFFFAOYSA-N
XLogP2.92
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid with MolForge

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Related Compounds

sodium;hydride;9H-xanthene-9-carboxylic acid
CID 174314940
(3R,4R)-4-cyclopropyl-1-(9H-xanthene-9-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979198
3-hydroxy-9H-xanthene-9-carboxylic acid
CID 22117056
[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 9H-xanthen-9-yl carbonate
CID 69147680
2,3-dimethyl-9H-xanthene-9-carboxylic acid
CID 139807013
1-(9H-xanthen-9-yl)azetidine-3-carboxylic acid
CID 65071597
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
[(1S,5R)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 9H-xanthene-9-carboxylate
CID 143165970
1-chloro-9H-xanthene-9-carboxylic acid
CID 54410254
1-(fluoromethyl)-9H-xanthene-9-carboxylic acid
CID 141434757
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 3964401
2-hydroxyethyl-methyl-di(propan-2-yl)azanium;9H-xanthene-9-carboxylic acid;hydrobromide
CID 174851967

Frequently Asked Questions

What is the IUPAC name of (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid?
The IUPAC name of (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid (CID 159270901) is (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid.
What is the SMILES notation for (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid?
The canonical SMILES for (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid is NCC1C2CN(P)CC12.O=C(O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid?
The InChIKey is KXRWNNXAWREJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3.C6H13N2P/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;7-1-4-5-2-8(9)3-6(4)5/h1-8,13H,(H,15,16);4-6H,1-3,7,9H2.
What are the key properties of (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid?
(3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid has a molecular weight of 370.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phosphanyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine;9H-xanthene-9-carboxylic acid is sourced from PubChem (CID 159270901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).