[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

C19H24N6O4 — CID 8510170

IUPAC[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESC[C@H](OC(=O)[C@H](Cc1ccccc1)n1cnnn1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H24N6O4/c1-13(17(26)22-19(28)21-15-9-5-6-10-15)29-18(27)16(25-12-20-23-24-25)11-14-7-3-2-4-8-14/h2-4,7-8,12-13,15-16H,5-6,9-11H2,1H3,(H2,21,22,26,28)/t13-,16-/m0/s1
InChIKeyUWZUVJYUCKNIFH-BBRMVZONSA-N
MW400.44 g/mol
LogP1.16
Rot. Bonds7

About [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (PubChem CID 8510170) 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] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
PubChem CID8510170
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate
SMILESC[C@H](OC(=O)[C@H](Cc1ccccc1)n1cnnn1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C19H24N6O4/c1-13(17(26)22-19(28)21-15-9-5-6-10-15)29-18(27)16(25-12-20-23-24-25)11-14-7-3-2-4-8-14/h2-4,7-8,12-13,15-16H,5-6,9-11H2,1H3,(H2,21,22,26,28)/t13-,16-/m0/s1
InChIKeyUWZUVJYUCKNIFH-BBRMVZONSA-N
XLogP1.16
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
N-[1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidin-4-yl]pentanamide
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N-[1-(oxolan-2-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
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CID 35254900
N-(2-methylpropyl)-1-[3-phenyl-2-(tetrazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 47036220
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CID 94393857
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N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
(2S)-3-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)-2-(tetrazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The IUPAC name of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate (CID 8510170) is [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate.
What is the SMILES notation for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The canonical SMILES for [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is C[C@H](OC(=O)[C@H](Cc1ccccc1)n1cnnn1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
The InChIKey is UWZUVJYUCKNIFH-BBRMVZONSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-13(17(26)22-19(28)21-15-9-5-6-10-15)29-18(27)16(25-12-20-23-24-25)11-14-7-3-2-4-8-14/h2-4,7-8,12-13,15-16H,5-6,9-11H2,1H3,(H2,21,22,26,28)/t13-,16-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate?
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate has a molecular weight of 400.44 g/mol, XLogP of 1.16, 7 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] (2S)-3-phenyl-2-(tetrazol-1-yl)propanoate is sourced from PubChem (CID 8510170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).