4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid

C14H16N6O3 — CID 135736596

IUPAC4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
SMILESNc1nc2ncc(CNC3=CCC(C(=O)O)CC3)nc2c(=O)[nH]1
InChIInChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h3,6-7,16H,1-2,4-5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKeyDHQDYOIOOGPRHY-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.15
Rot. Bonds4

About 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid

4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid (PubChem CID 135736596) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
PubChem CID135736596
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
SMILESNc1nc2ncc(CNC3=CCC(C(=O)O)CC3)nc2c(=O)[nH]1
InChIInChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h3,6-7,16H,1-2,4-5H2,(H,22,23)(H3,15,17,19,20,21)
InChIKeyDHQDYOIOOGPRHY-UHFFFAOYSA-N
XLogP0.15
TPSA146.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic 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

2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoacetic acid
CID 136660568
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoate
CID 135510645
azanium 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoate
CID 141323082
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohexa-2,4-diene-1-carbonyl]amino]-3-(carboxyamino)propanoic acid
CID 136962792
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979
N-(2-aminoethyl)-4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzamide
CID 166074874
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-2-ene-1-carbonyl]amino]-4-methylidenepentanedioic acid
CID 174695780
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid
CID 135932484
(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)(113C)methylamino]benzoyl]amino]pentanedioic acid
CID 135525391
2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylpentanedioic acid
CID 136932722
2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]iminopentanedioic acid
CID 174274363

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid (CID 135736596) is 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid is Nc1nc2ncc(CNC3=CCC(C(=O)O)CC3)nc2c(=O)[nH]1.
What is the InChIKey of 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is DHQDYOIOOGPRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h3,6-7,16H,1-2,4-5H2,(H,22,23)(H3,15,17,19,20,21).
What are the key properties of 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid?
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 135736596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).