[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

C13H21N5O3 — CID 8890215

IUPAC[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESC[C@H](OC(=O)Cn1cnnn1)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N5O3/c1-10(21-12(19)8-18-9-14-16-17-18)13(20)15-11-6-4-2-3-5-7-11/h9-11H,2-8H2,1H3,(H,15,20)/t10-/m0/s1
InChIKeyTTWDSFZXSIPQRH-JTQLQIEISA-N
MW295.34 g/mol
LogP0.44
Rot. Bonds5

About [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (PubChem CID 8890215) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
PubChem CID8890215
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
SMILESC[C@H](OC(=O)Cn1cnnn1)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N5O3/c1-10(21-12(19)8-18-9-14-16-17-18)13(20)15-11-6-4-2-3-5-7-11/h9-11H,2-8H2,1H3,(H,15,20)/t10-/m0/s1
InChIKeyTTWDSFZXSIPQRH-JTQLQIEISA-N
XLogP0.44
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890216
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 30388378
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[5-(4-chlorophenyl)tetrazol-2-yl]acetate
CID 8825492
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8881187
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7242381
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897
[(2S)-1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890235
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
CID 42973349
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982234
[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890213
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 8572471

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The IUPAC name of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate (CID 8890215) is [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate.
What is the SMILES notation for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The canonical SMILES for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is C[C@H](OC(=O)Cn1cnnn1)C(=O)NC1CCCCCC1.
What is the InChIKey of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
The InChIKey is TTWDSFZXSIPQRH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O3/c1-10(21-12(19)8-18-9-14-16-17-18)13(20)15-11-6-4-2-3-5-7-11/h9-11H,2-8H2,1H3,(H,15,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate?
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate has a molecular weight of 295.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate is sourced from PubChem (CID 8890215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).