5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

C16H19N5O7S — CID 23285476

IUPAC5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCS(=O)(=O)c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N5O7S/c1-2-29(26,27)15-18-19-20-21(15)9-13(22)12(8-14(23)24)17-16(25)28-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,25)(H,23,24)
InChIKeyAXGYOKWONKTKLG-UHFFFAOYSA-N
MW425.42 g/mol
LogP-0.19
Rot. Bonds10

About 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 23285476) has the molecular formula C16H19N5O7S and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID23285476
Molecular FormulaC16H19N5O7S
Molecular Weight425.42 g/mol
Exact Mass425.10
IUPAC Name5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCS(=O)(=O)c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N5O7S/c1-2-29(26,27)15-18-19-20-21(15)9-13(22)12(8-14(23)24)17-16(25)28-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,25)(H,23,24)
InChIKeyAXGYOKWONKTKLG-UHFFFAOYSA-N
XLogP-0.19
TPSA170.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-(5-ethylsulfinyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 23285576
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid
CID 54038131
4-oxo-3-(phenylmethoxycarbonylamino)-5-(5-pyridin-4-yltetrazol-1-yl)pentanoic acid;hydrochloride
CID 70164625
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 22614638
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(2,3,6-trichlorophenyl)sulfanyltetrazol-1-yl]pentanoic acid
CID 23285557
benzyl N-[2-oxo-1-[5-(3-phenylpropyl)tetrazol-1-yl]pentan-3-yl]carbamate
CID 18726147
5-[5-(3,4-dichlorophenyl)sulfanyltetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 22614728
5-[5-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl]tetrazol-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 19707060
benzyl N-[2-oxo-1-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentan-3-yl]carbamate
CID 18726149
benzyl N-[1-[5-[2-(4-chlorophenyl)ethyl]tetrazol-1-yl]-2-oxopentan-3-yl]carbamate
CID 18726228
5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-1-yl]-4-oxo-3-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoic acid
CID 22614751
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-[5-(3-phenylphenyl)tetrazol-1-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 20791265

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 23285476) is 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is CCS(=O)(=O)c1nnnn1CC(=O)C(CC(=O)O)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is AXGYOKWONKTKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O7S/c1-2-29(26,27)15-18-19-20-21(15)9-13(22)12(8-14(23)24)17-16(25)28-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,25)(H,23,24).
What are the key properties of 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid?
5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 425.42 g/mol, XLogP of -0.19, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylsulfonyltetrazol-1-yl)-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 23285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).