(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid

C11H11N3O6 — CID 107833087

IUPAC(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11N3O6/c1-4-6(8(16)12-2-5(15)11(18)19)7-9(17)13-3-14-10(7)20-4/h3,5,15H,2H2,1H3,(H,12,16)(H,18,19)(H,13,14,17)/t5-/m0/s1
InChIKeyAVYPKWQVXLVBFD-YFKPBYRVSA-N
MW281.22 g/mol
LogP-1.00
Rot. Bonds4

About (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 107833087) has the molecular formula C11H11N3O6 and a molecular weight of 281.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID107833087
Molecular FormulaC11H11N3O6
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC Name(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C11H11N3O6/c1-4-6(8(16)12-2-5(15)11(18)19)7-9(17)13-3-14-10(7)20-4/h3,5,15H,2H2,1H3,(H,12,16)(H,18,19)(H,13,14,17)/t5-/m0/s1
InChIKeyAVYPKWQVXLVBFD-YFKPBYRVSA-N
XLogP-1.00
TPSA145.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 107261163
N-[(2R)-2-(ethylamino)propyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 120651735
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 29304267
N-(2,2-diphenylpropyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 31798248
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 78957760
6-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 60981855
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
CID 60693539
2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60830861
N-[2-(4-bromoanilino)-2-oxoethyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55960049
6-methyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 94805754
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (CID 107833087) is (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is AVYPKWQVXLVBFD-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H11N3O6/c1-4-6(8(16)12-2-5(15)11(18)19)7-9(17)13-3-14-10(7)20-4/h3,5,15H,2H2,1H3,(H,12,16)(H,18,19)(H,13,14,17)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 281.22 g/mol, XLogP of -1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).