2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid

C7H11N5O3 — CID 110496455

IUPAC2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C7H11N5O3/c1-2-4(7(14)15)8-6(13)3-5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12)
InChIKeyHFRURSQAWNMQSB-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.28
Rot. Bonds5

About 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid

2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid (PubChem CID 110496455) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid
PubChem CID110496455
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C7H11N5O3/c1-2-4(7(14)15)8-6(13)3-5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12)
InChIKeyHFRURSQAWNMQSB-UHFFFAOYSA-N
XLogP-1.28
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-3-methyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoate
CID 168274626
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 20357904
2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid
CID 67805872
(2S)-4,4-dimethyl-2-[[2-(2H-tetrazol-5-yl)acetyl]amino]pentanoic acid
CID 69196247
(2S)-2-(4-methylpentanoylamino)-3-(2H-tetrazol-5-yl)propanoic acid
CID 163445372
2-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 61867688
2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 61868280
4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 61868478
(2S)-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 61868482
2-[methyl-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]amino]butanoic acid
CID 61868686
2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 61869687
(2S)-4-amino-4-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 63717941

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid (CID 110496455) is 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1nn[nH]n1)C(=O)O.
What is the InChIKey of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid?
The InChIKey is HFRURSQAWNMQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-2-4(7(14)15)8-6(13)3-5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12).
What are the key properties of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid?
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid has a molecular weight of 213.20 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110496455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).