[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C15H18N6O3S — CID 8677773

IUPAC[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESCC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C15H18N6O3S/c1-10(2)15(3,9-16)17-12(22)7-24-13(23)6-21-19-14(18-20-21)11-4-5-25-8-11/h4-5,8,10H,6-7H2,1-3H3,(H,17,22)/t15-/m1/s1
InChIKeyRTWZJKMSOPDDIQ-OAHLLOKOSA-N
MW362.42 g/mol
LogP1.00
Rot. Bonds7

About [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677773) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677773
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESCC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1nnc(-c2ccsc2)n1
InChIInChI=1S/C15H18N6O3S/c1-10(2)15(3,9-16)17-12(22)7-24-13(23)6-21-19-14(18-20-21)11-4-5-25-8-11/h4-5,8,10H,6-7H2,1-3H3,(H,17,22)/t15-/m1/s1
InChIKeyRTWZJKMSOPDDIQ-OAHLLOKOSA-N
XLogP1.00
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677593
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677562
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128230
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677564
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920532
[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 24671340
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
methyl 2-[2-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]tetrazol-5-yl]acetate
CID 94799142
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677753

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677773) is [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cn1nnc(-c2ccsc2)n1.
What is the InChIKey of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is RTWZJKMSOPDDIQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-10(2)15(3,9-16)17-12(22)7-24-13(23)6-21-19-14(18-20-21)11-4-5-25-8-11/h4-5,8,10H,6-7H2,1-3H3,(H,17,22)/t15-/m1/s1.
What are the key properties of [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 362.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).