[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

C19H24N6O4 — CID 8825741

IUPAC[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C19H24N6O4/c1-12-7-9-14(10-8-12)17-22-24-25(23-17)11-16(26)29-13(2)18(27)21-19(28)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11H2,1-2H3,(H2,20,21,27,28)/t13-/m0/s1
InChIKeyVXEFLYZTOZBGGV-ZDUSSCGKSA-N
MW400.44 g/mol
LogP1.35
Rot. Bonds6

About [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (PubChem CID 8825741) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
PubChem CID8825741
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C19H24N6O4/c1-12-7-9-14(10-8-12)17-22-24-25(23-17)11-16(26)29-13(2)18(27)21-19(28)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11H2,1-2H3,(H2,20,21,27,28)/t13-/m0/s1
InChIKeyVXEFLYZTOZBGGV-ZDUSSCGKSA-N
XLogP1.35
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8825492
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951287
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804
(2R)-N-cyclopentyl-2-[(2-methoxyphenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 5438576
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
N-cyclohexyl-2-[5-[4-(2-methylpropoxy)phenyl]tetrazol-2-yl]acetamide
CID 1136538
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8986693
(2S)-N-cyclopentyl-2-(3-fluoro-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446231
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46617772
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 8740508

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (CID 8825741) is [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is Cc1ccc(-c2nnn(CC(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The InChIKey is VXEFLYZTOZBGGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-12-7-9-14(10-8-12)17-22-24-25(23-17)11-16(26)29-13(2)18(27)21-19(28)20-15-5-3-4-6-15/h7-10,13,15H,3-6,11H2,1-2H3,(H2,20,21,27,28)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate has a molecular weight of 400.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 8825741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).