2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide

C9H11N5O3 — CID 91185008

IUPAC2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide
SMILESCC(=O)C(=O)N[C@H]1NC(=O)C2N=CCN=C2N1
InChIInChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2,5,9H,3H2,1H3,(H,11,12)(H,13,16)(H,14,17)/t5?,9-/m0/s1
InChIKeyCYXZEORJUZTXBJ-YQFNKJDISA-N
MW237.22 g/mol
LogP-2.45
Rot. Bonds2

About 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide

2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide (PubChem CID 91185008) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide.

Molecular Properties

Compound Name2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide
PubChem CID91185008
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide
SMILESCC(=O)C(=O)N[C@H]1NC(=O)C2N=CCN=C2N1
InChIInChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2,5,9H,3H2,1H3,(H,11,12)(H,13,16)(H,14,17)/t5?,9-/m0/s1
InChIKeyCYXZEORJUZTXBJ-YQFNKJDISA-N
XLogP-2.45
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,6-Dimethyltetrahydro-pterin
CID 129692030
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
2-oxo-N-(4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl)propanamide
CID 53747632
2-(hydroxyamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54158022
1-Methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
CID 54233822
2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54537290
2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
CID 57262440
2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 57322900
2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide
CID 67342660

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide?
The IUPAC name of 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide (CID 91185008) is 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide.
What is the SMILES notation for 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide?
The canonical SMILES for 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide is CC(=O)C(=O)N[C@H]1NC(=O)C2N=CCN=C2N1.
What is the InChIKey of 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide?
The InChIKey is CYXZEORJUZTXBJ-YQFNKJDISA-N. The full InChI is InChI=1S/C9H11N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h2,5,9H,3H2,1H3,(H,11,12)(H,13,16)(H,14,17)/t5?,9-/m0/s1.
What are the key properties of 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide?
2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide has a molecular weight of 237.22 g/mol, XLogP of -2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide is sourced from PubChem (CID 91185008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).