2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid

C11H13N5O2 — CID 62637944

IUPAC2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H13N5O2/c1-8(10(17)18)15(2)11-12-13-14-16(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyDOIKAYMZMIALEQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.57
Rot. Bonds4

About 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid

2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid (PubChem CID 62637944) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
PubChem CID62637944
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C11H13N5O2/c1-8(10(17)18)15(2)11-12-13-14-16(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)
InChIKeyDOIKAYMZMIALEQ-UHFFFAOYSA-N
XLogP0.57
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
CID 63152079
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
2-[methyl-(1-phenyltetrazol-5-yl)amino]cyclohexan-1-ol
CID 102636016
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
N-methyl-1-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazol-5-amine
CID 9030453
2-methyl-3-[methyl-(1-phenyltetrazol-5-yl)amino]propanimidamide
CID 54990530

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid (CID 62637944) is 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid is CC(C(=O)O)N(C)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is DOIKAYMZMIALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8(10(17)18)15(2)11-12-13-14-16(11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid?
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 247.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 62637944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).