(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid

C15H12N6O4 — CID 162652288

IUPAC(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc2nc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m1/s1
InChIKeyCKTFFRDVMHUKQB-SECBINFHSA-N
MW340.30 g/mol
LogP-0.15
Rot. Bonds4

About (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid (PubChem CID 162652288) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
PubChem CID162652288
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid
SMILESNc1nc2nc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1
InChIInChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m1/s1
InChIKeyCKTFFRDVMHUKQB-SECBINFHSA-N
XLogP-0.15
TPSA163.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Folic Acid
CID 135398658
Folate
CID 135405876
2-((4-((2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino)Benzoyl)Amino)Pentanedioic Acid
CID 135444779
Methopterin
CID 135434845
Pteroic Acid
CID 135398749
CID 6037
CID 6037
N10-(Trifluoroacetyl)pteroic acid
CID 135405262
Pteroyltriglutamic acid
CID 135529112
Folic acid tetraglutamate
CID 135483919
N-Nitrosofolic acid
CID 135565414
Folate(2-)
CID 135761165
(2S)-4-methyl-2-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 67285588

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid (CID 162652288) is (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid is Nc1nc2nc(C(=O)N[C@@H](C(=O)O)c3ccccc3)cnc2c(=O)[nH]1.
What is the InChIKey of (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is CKTFFRDVMHUKQB-SECBINFHSA-N. The full InChI is InChI=1S/C15H12N6O4/c16-15-20-11-10(13(23)21-15)17-6-8(18-11)12(22)19-9(14(24)25)7-4-2-1-3-5-7/h1-6,9H,(H,19,22)(H,24,25)(H3,16,18,20,21,23)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 340.30 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 (2R)-2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 162652288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).