(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid

C16H15N3O4 — CID 136583522

IUPAC(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid
SMILESO=C(N[C@H]1CCO[C@H]1C(=O)O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N3O4/c20-15(19-12-6-7-23-13(12)16(21)22)11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7H2,(H,19,20)(H,21,22)/t12-,13+/m0/s1
InChIKeyNAYGQMZPOGBFOF-QWHCGFSZSA-N
MW313.31 g/mol
LogP1.12
Rot. Bonds4

About (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid

(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid (PubChem CID 136583522) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid
PubChem CID136583522
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid
SMILESO=C(N[C@H]1CCO[C@H]1C(=O)O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H15N3O4/c20-15(19-12-6-7-23-13(12)16(21)22)11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7H2,(H,19,20)(H,21,22)/t12-,13+/m0/s1
InChIKeyNAYGQMZPOGBFOF-QWHCGFSZSA-N
XLogP1.12
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid (CID 136583522) is (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid is O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid?
The InChIKey is NAYGQMZPOGBFOF-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-15(19-12-6-7-23-13(12)16(21)22)11-8-17-14(18-9-11)10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7H2,(H,19,20)(H,21,22)/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid?
(2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(2-phenylpyrimidine-5-carbonyl)amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 136583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).