[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate

C19H17N5O3 — CID 27719361

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C19H17N5O3/c25-18(21-14-10-11-14)17(13-6-2-1-3-7-13)27-19(26)15-8-4-5-9-16(15)24-12-20-22-23-24/h1-9,12,14,17H,10-11H2,(H,21,25)/t17-/m0/s1
InChIKeyIHUHXXQYHHAVOZ-KRWDZBQOSA-N
MW363.38 g/mol
LogP1.84
Rot. Bonds6

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate (PubChem CID 27719361) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate
PubChem CID27719361
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate
SMILESO=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C19H17N5O3/c25-18(21-14-10-11-14)17(13-6-2-1-3-7-13)27-19(26)15-8-4-5-9-16(15)24-12-20-22-23-24/h1-9,12,14,17H,10-11H2,(H,21,25)/t17-/m0/s1
InChIKeyIHUHXXQYHHAVOZ-KRWDZBQOSA-N
XLogP1.84
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate (CID 27719361) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate is O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1-n1cnnn1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate?
The InChIKey is IHUHXXQYHHAVOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N5O3/c25-18(21-14-10-11-14)17(13-6-2-1-3-7-13)27-19(26)15-8-4-5-9-16(15)24-12-20-22-23-24/h1-9,12,14,17H,10-11H2,(H,21,25)/t17-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate has a molecular weight of 363.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 27719361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).