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

C6H9N5O3 — CID 110496407

IUPAC2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C6H9N5O3/c1-3(6(13)14)7-5(12)2-4-8-10-11-9-4/h3H,2H2,1H3,(H,7,12)(H,13,14)(H,8,9,10,11)
InChIKeyDWQXIDVRDQESJV-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.67
Rot. Bonds4

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

2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (PubChem CID 110496407) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
PubChem CID110496407
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cc1nn[nH]n1)C(=O)O
InChIInChI=1S/C6H9N5O3/c1-3(6(13)14)7-5(12)2-4-8-10-11-9-4/h3H,2H2,1H3,(H,7,12)(H,13,14)(H,8,9,10,11)
InChIKeyDWQXIDVRDQESJV-UHFFFAOYSA-N
XLogP-1.67
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.67
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-(1H-1,2,3,4-tetrazol-5-yl)-2-(2,2,2-trifluoroacetamido)acetic acid
CID 165937197
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]acetic acid
CID 20357904
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]butanoic acid
CID 110496455
2-[2-(2H-tetrazol-5-yl)ethylamino]acetic acid
CID 13525510
(2S)-2-(2H-tetrazol-5-ylmethylcarbamoylamino)propanoic acid
CID 61867492
2-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 61867688
2-oxo-2-[1-(2H-tetrazol-5-yl)ethylamino]acetic acid
CID 61868103
2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 61868280
(2S)-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 61868482
2-(2H-tetrazol-5-ylmethylcarbamoylamino)propanoic acid
CID 61869493
2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 61869687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (CID 110496407) is 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cc1nn[nH]n1)C(=O)O.
What is the InChIKey of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The InChIKey is DWQXIDVRDQESJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c1-3(6(13)14)7-5(12)2-4-8-10-11-9-4/h3H,2H2,1H3,(H,7,12)(H,13,14)(H,8,9,10,11).
What are the key properties of 2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
2-[[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.67, 4 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]propanoic acid is sourced from PubChem (CID 110496407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).