2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid

C14H19N5O2 — CID 79263009

IUPAC2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)18(10-13(20)21)9-12-15-16-17-19(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyFXJPNDCXUISCAY-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.35
Rot. Bonds5

About 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid

2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid (PubChem CID 79263009) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
PubChem CID79263009
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-14(2,3)18(10-13(20)21)9-12-15-16-17-19(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,20,21)
InChIKeyFXJPNDCXUISCAY-UHFFFAOYSA-N
XLogP1.35
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid 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

1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
3-[5-[(dimethylamino)methyl]tetrazol-1-yl]benzoic acid;hydrochloride
CID 53444484
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 13208288
N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 51261369
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
(2R)-1-[N-[(1-phenyltetrazol-5-yl)methyl]anilino]propan-2-ol
CID 94824316
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid (CID 79263009) is 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid?
The InChIKey is FXJPNDCXUISCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(2,3)18(10-13(20)21)9-12-15-16-17-19(12)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid?
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid has a molecular weight of 289.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79263009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).