(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid

C12H14N4O3 — CID 18548746

IUPAC(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
SMILESN#Cc1cc(N)c(NC(=O)O)cc1N1CCOCC1
InChIInChI=1S/C12H14N4O3/c13-7-8-5-9(14)10(15-12(17)18)6-11(8)16-1-3-19-4-2-16/h5-6,15H,1-4,14H2,(H,17,18)
InChIKeyUWABCDFNABVDNC-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.07
Rot. Bonds2

About (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid

(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid (PubChem CID 18548746) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
PubChem CID18548746
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
SMILESN#Cc1cc(N)c(NC(=O)O)cc1N1CCOCC1
InChIInChI=1S/C12H14N4O3/c13-7-8-5-9(14)10(15-12(17)18)6-11(8)16-1-3-19-4-2-16/h5-6,15H,1-4,14H2,(H,17,18)
InChIKeyUWABCDFNABVDNC-UHFFFAOYSA-N
XLogP1.07
TPSA111.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940
[2-amino-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-(2-phenylethynyl)phenyl]carbamic acid
CID 22448551
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
[4-cyano-2-[[3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]-3-oxopropanoyl]amino]-5-morpholin-4-ylphenyl]carbamic acid;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 160577467
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
CID 67978022
N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide
CID 91677372
2-(2-cyano-3-morpholin-4-ylanilino)-2-oxoacetic acid
CID 12715813

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid?
The IUPAC name of (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid (CID 18548746) is (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid.
What is the SMILES notation for (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid?
The canonical SMILES for (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid is N#Cc1cc(N)c(NC(=O)O)cc1N1CCOCC1.
What is the InChIKey of (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid?
The InChIKey is UWABCDFNABVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-7-8-5-9(14)10(15-12(17)18)6-11(8)16-1-3-19-4-2-16/h5-6,15H,1-4,14H2,(H,17,18).
What are the key properties of (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid?
(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid has a molecular weight of 262.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid is sourced from PubChem (CID 18548746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).