methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate

C15H19N5O3 — CID 42570466

IUPACmethyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC
InChIInChI=1S/C15H19N5O3/c1-4-10(2)13(15(22)23-3)17-14(21)11-7-5-6-8-12(11)20-9-16-18-19-20/h5-10,13H,4H2,1-3H3,(H,17,21)/t10-,13-/m0/s1
InChIKeyDBABZFCBQCUZLJ-GWCFXTLKSA-N
MW317.35 g/mol
LogP0.98
Rot. Bonds6

About methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate

methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate (PubChem CID 42570466) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate
PubChem CID42570466
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Namemethyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC
InChIInChI=1S/C15H19N5O3/c1-4-10(2)13(15(22)23-3)17-14(21)11-7-5-6-8-12(11)20-9-16-18-19-20/h5-10,13H,4H2,1-3H3,(H,17,21)/t10-,13-/m0/s1
InChIKeyDBABZFCBQCUZLJ-GWCFXTLKSA-N
XLogP0.98
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate?
The IUPAC name of methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate (CID 42570466) is methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate.
What is the SMILES notation for methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate?
The canonical SMILES for methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate is CC[C@H](C)[C@H](NC(=O)c1ccccc1-n1cnnn1)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate?
The InChIKey is DBABZFCBQCUZLJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-10(2)13(15(22)23-3)17-14(21)11-7-5-6-8-12(11)20-9-16-18-19-20/h5-10,13H,4H2,1-3H3,(H,17,21)/t10-,13-/m0/s1.
What are the key properties of methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate?
methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate has a molecular weight of 317.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-methyl-2-[[2-(tetrazol-1-yl)benzoyl]amino]pentanoate is sourced from PubChem (CID 42570466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).