2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid

C7H13N5O2 — CID 63152352

IUPAC2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-3-4-12(5-6(13)14)7-8-9-10-11(7)2/h3-5H2,1-2H3,(H,13,14)
InChIKeyYJBUZBCTQLYKFB-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.49
Rot. Bonds5

About 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid

2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid (PubChem CID 63152352) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid
PubChem CID63152352
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nnnn1C
InChIInChI=1S/C7H13N5O2/c1-3-4-12(5-6(13)14)7-8-9-10-11(7)2/h3-5H2,1-2H3,(H,13,14)
InChIKeyYJBUZBCTQLYKFB-UHFFFAOYSA-N
XLogP-0.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid
CID 63152259
2-[(1-methyltetrazol-5-yl)-propylamino]ethanol
CID 63149759
2-[ethyl-(1-methyltetrazol-5-yl)amino]ethanol
CID 63149709
2-[propyl(pyrimidin-2-yl)amino]acetic acid
CID 61008662
2-[(5-ethoxycarbonyl-2-pyridinyl)-propylamino]acetic acid
CID 54898866
2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
CID 63152586
2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
CID 63152079
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
4-[5-(diethylamino)tetrazol-1-yl]butanoic acid
CID 139677761
N-benzoyl-N-(1-methyltetrazol-5-yl)benzamide
CID 135343671
2-[(2-carbamoyl-4-pyridinyl)-propylamino]acetic acid
CID 61007224
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid (CID 63152352) is 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1nnnn1C.
What is the InChIKey of 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid?
The InChIKey is YJBUZBCTQLYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-3-4-12(5-6(13)14)7-8-9-10-11(7)2/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid?
2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid has a molecular weight of 199.21 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltetrazol-5-yl)-propylamino]acetic acid is sourced from PubChem (CID 63152352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).