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

C11H13N5O3 — CID 81077703

IUPAC3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
SMILESCOCC(Nc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C11H13N5O3/c1-19-7-9(10(17)18)12-11-13-14-15-16(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,17,18)(H,12,13,15)
InChIKeyYHMJDOYZJMDRPI-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.17
Rot. Bonds6

About 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid

3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid (PubChem CID 81077703) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
PubChem CID81077703
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
SMILESCOCC(Nc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C11H13N5O3/c1-19-7-9(10(17)18)12-11-13-14-15-16(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,17,18)(H,12,13,15)
InChIKeyYHMJDOYZJMDRPI-UHFFFAOYSA-N
XLogP0.17
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[2-[(1-phenyltetrazol-5-yl)amino]butanoylamino]hexanoic acid
CID 120615255
3-[methyl-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]amino]propanoic acid
CID 119362556
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
4-methoxy-1-N-(1-phenyltetrazol-5-yl)butane-1,3-diamine
CID 106244044
2-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 43388771
(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
CID 95331748
1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119349526
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474
N-[3-(ethylaminomethyl)phenyl]-2-[(1-phenyltetrazol-5-yl)amino]butanamide;dihydrochloride
CID 119438091
(1R,3R)-1-phenyl-3-[(1-phenyltetrazol-5-yl)amino]butan-1-ol
CID 97325529
(2S)-N-(2-methoxyethyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 9274391
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)amino]propane-1,3-diol
CID 107849570

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid (CID 81077703) is 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid is COCC(Nc1nnnn1-c1ccccc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is YHMJDOYZJMDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-19-7-9(10(17)18)12-11-13-14-15-16(11)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,17,18)(H,12,13,15).
What are the key properties of 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid?
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 81077703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).