2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid

C8H13N5O2 — CID 107044903

IUPAC2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
SMILESCn1nnc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)4-9-7(8(14)15)5-2-3-5/h5,7,9H,2-4H2,1H3,(H,14,15)
InChIKeyNSDPEZOLQAPXGM-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.84
Rot. Bonds5

About 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid

2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid (PubChem CID 107044903) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
PubChem CID107044903
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid
SMILESCn1nnc(CNC(C(=O)O)C2CC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)4-9-7(8(14)15)5-2-3-5/h5,7,9H,2-4H2,1H3,(H,14,15)
InChIKeyNSDPEZOLQAPXGM-UHFFFAOYSA-N
XLogP-0.84
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
CID 66116524
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 107042657
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
2-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107044975
1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 126822572
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046399
3-(2-methyltetrazol-5-yl)propanoic acid
CID 22069179
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
CID 62887278
2-cyclopropyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106419572

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid (CID 107044903) is 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid is Cn1nnc(CNC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid?
The InChIKey is NSDPEZOLQAPXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-6(10-12-13)4-9-7(8(14)15)5-2-3-5/h5,7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 107044903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).