3-amino-3-(1-methyltetrazol-5-yl)propanoic acid

C5H9N5O2 — CID 84653997

IUPAC3-amino-3-(1-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnnc1C(N)CC(=O)O
InChIInChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)3(6)2-4(11)12/h3H,2,6H2,1H3,(H,11,12)
InChIKeyHNWWNFWSDAWAEF-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.32
Rot. Bonds3

About 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid

3-amino-3-(1-methyltetrazol-5-yl)propanoic acid (PubChem CID 84653997) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(1-methyltetrazol-5-yl)propanoic acid
PubChem CID84653997
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name3-amino-3-(1-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnnc1C(N)CC(=O)O
InChIInChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)3(6)2-4(11)12/h3H,2,6H2,1H3,(H,11,12)
InChIKeyHNWWNFWSDAWAEF-UHFFFAOYSA-N
XLogP-1.32
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(1-methyltetrazol-5-yl)propan-1-amine
CID 59036874
3-amino-3-(3-methyltriazol-4-yl)propanoic acid
CID 131049940
2-(1-methyltetrazol-5-yl)pentan-3-one
CID 63550163
(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid
CID 58595292
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
2-(1-methyltetrazol-5-yl)pentan-3-amine
CID 63550008
2-amino-2-(1-ethyltetrazol-5-yl)acetic acid
CID 115013824
3-(1-methyltetrazol-5-yl)butan-2-ol
CID 63204940
2-(1-methyltetrazol-5-yl)butan-1-amine
CID 83635435
3-amino-3-(2-methyltriazol-4-yl)propanoic acid
CID 130613907
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid (CID 84653997) is 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid is Cn1nnnc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid?
The InChIKey is HNWWNFWSDAWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)3(6)2-4(11)12/h3H,2,6H2,1H3,(H,11,12).
What are the key properties of 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid?
3-amino-3-(1-methyltetrazol-5-yl)propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 84653997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).