methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate

C14H15N3O3 — CID 25147962

IUPACmethyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H15N3O3/c1-9(14(19)20-2)16-13(18)11-8-15-12(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1
InChIKeyYTBPGDRCHMQMSG-VIFPVBQESA-N
MW273.29 g/mol
LogP1.37
Rot. Bonds4

About methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate

methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate (PubChem CID 25147962) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate
PubChem CID25147962
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H15N3O3/c1-9(14(19)20-2)16-13(18)11-8-15-12(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1
InChIKeyYTBPGDRCHMQMSG-VIFPVBQESA-N
XLogP1.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate (CID 25147962) is methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate?
The InChIKey is YTBPGDRCHMQMSG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9(14(19)20-2)16-13(18)11-8-15-12(17-11)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate?
methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate has a molecular weight of 273.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-phenyl-1H-imidazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 25147962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).