2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid

C13H17N5O2 — CID 62108843

IUPAC2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
SMILESCCCn1nnnc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-2-8-18-11(15-16-17-18)9-14-12(13(19)20)10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3,(H,19,20)
InChIKeyJGODUNWAIWZZDL-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.00
Rot. Bonds7

About 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid

2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid (PubChem CID 62108843) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
PubChem CID62108843
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
SMILESCCCn1nnnc1CNC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17N5O2/c1-2-8-18-11(15-16-17-18)9-14-12(13(19)20)10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3,(H,19,20)
InChIKeyJGODUNWAIWZZDL-UHFFFAOYSA-N
XLogP1.00
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
CID 43631568
2-phenyl-2-[(1-propylpyrrol-2-yl)methylamino]acetic acid
CID 66442837
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
CID 43619662
N-[[1-(3-phenylbutyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62988235
N-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62736869
2-phenyl-N-[(1-propyltetrazol-5-yl)methyl]aniline
CID 86910711
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
CID 62109806
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
CID 79791754
2-iodo-N-[(1-propyltetrazol-5-yl)methyl]aniline
CID 86910502
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid (CID 62108843) is 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid is CCCn1nnnc1CNC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid?
The InChIKey is JGODUNWAIWZZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-8-18-11(15-16-17-18)9-14-12(13(19)20)10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3,(H,19,20).
What are the key properties of 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid?
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 62108843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).