(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid

C16H17N3O3 — CID 122565131

IUPAC(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCc1ncncc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-2-6-13-12(9-17-10-18-13)15(20)19-14(16(21)22)11-7-4-3-5-8-11/h3-5,7-10,14H,2,6H2,1H3,(H,19,20)(H,21,22)/t14-/m0/s1
InChIKeyZEOCZICFUSPQSI-AWEZNQCLSA-N
MW299.33 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid

(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 122565131) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID122565131
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCc1ncncc1C(=O)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H17N3O3/c1-2-6-13-12(9-17-10-18-13)15(20)19-14(16(21)22)11-7-4-3-5-8-11/h3-5,7-10,14H,2,6H2,1H3,(H,19,20)(H,21,22)/t14-/m0/s1
InChIKeyZEOCZICFUSPQSI-AWEZNQCLSA-N
XLogP1.98
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid (CID 122565131) is (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid is CCCc1ncncc1C(=O)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is ZEOCZICFUSPQSI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-6-13-12(9-17-10-18-13)15(20)19-14(16(21)22)11-7-4-3-5-8-11/h3-5,7-10,14H,2,6H2,1H3,(H,19,20)(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid?
(2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(4-propylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 122565131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).