2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid

C10H19N5O2 — CID 79791754

IUPAC2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
SMILESCCCn1nnnc1CNC(C)(CC)C(=O)O
InChIInChI=1S/C10H19N5O2/c1-4-6-15-8(12-13-14-15)7-11-10(3,5-2)9(16)17/h11H,4-7H2,1-3H3,(H,16,17)
InChIKeyBTCWKNVESWONAI-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.43
Rot. Bonds7

About 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid

2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid (PubChem CID 79791754) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
PubChem CID79791754
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
SMILESCCCn1nnnc1CNC(C)(CC)C(=O)O
InChIInChI=1S/C10H19N5O2/c1-4-6-15-8(12-13-14-15)7-11-10(3,5-2)9(16)17/h11H,4-7H2,1-3H3,(H,16,17)
InChIKeyBTCWKNVESWONAI-UHFFFAOYSA-N
XLogP0.43
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
CID 43619662
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
CID 95635544
(2R)-2-acetamido-3-[(1-propyltetrazol-5-yl)methylsulfanyl]propanoic acid
CID 107774522
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid
CID 65290086
2-[(1-butyltetrazol-5-yl)methylamino]pentanoic acid
CID 43631568
2-methyl-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]butanoic acid
CID 79789387
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62761177
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylamino]-2-methylbutanoic acid
CID 79789130
3,5-dichloro-N-[(1-propyltetrazol-5-yl)methyl]aniline
CID 78822521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid?
The IUPAC name of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid (CID 79791754) is 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid is CCCn1nnnc1CNC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid?
The InChIKey is BTCWKNVESWONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-6-15-8(12-13-14-15)7-11-10(3,5-2)9(16)17/h11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid?
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid has a molecular weight of 241.29 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid is sourced from PubChem (CID 79791754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).