methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate

C12H12FN5O3 — CID 29139683

IUPACmethyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C12H12FN5O3/c1-21-11(19)4-5-14-12(20)9-3-2-8(13)6-10(9)18-7-15-16-17-18/h2-3,6-7H,4-5H2,1H3,(H,14,20)
InChIKeyCXBHLYJRTWDNET-UHFFFAOYSA-N
MW293.26 g/mol
LogP0.09
Rot. Bonds5

About methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate

methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate (PubChem CID 29139683) has the molecular formula C12H12FN5O3 and a molecular weight of 293.26 g/mol. Its IUPAC name is methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
PubChem CID29139683
Molecular FormulaC12H12FN5O3
Molecular Weight293.26 g/mol
Exact Mass293.09
IUPAC Namemethyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(F)cc1-n1cnnn1
InChIInChI=1S/C12H12FN5O3/c1-21-11(19)4-5-14-12(20)9-3-2-8(13)6-10(9)18-7-15-16-17-18/h2-3,6-7H,4-5H2,1H3,(H,14,20)
InChIKeyCXBHLYJRTWDNET-UHFFFAOYSA-N
XLogP0.09
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate 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

methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
methyl (2R,3S)-2-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-methylpentanoate
CID 96565035
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
5-fluoro-N-(2-pyridin-2-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 71707777

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate (CID 29139683) is methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(F)cc1-n1cnnn1.
What is the InChIKey of methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate?
The InChIKey is CXBHLYJRTWDNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O3/c1-21-11(19)4-5-14-12(20)9-3-2-8(13)6-10(9)18-7-15-16-17-18/h2-3,6-7H,4-5H2,1H3,(H,14,20).
What are the key properties of methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate?
methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate has a molecular weight of 293.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]propanoate is sourced from PubChem (CID 29139683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).