methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate

C10H19N5O2 — CID 107042301

IUPACmethyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1nnn(C)n1
InChIInChI=1S/C10H19N5O2/c1-7(2)5-8(10(16)17-4)11-6-9-12-14-15(3)13-9/h7-8,11H,5-6H2,1-4H3
InChIKeyNKECJVCTXPOCCO-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.11
Rot. Bonds6

About methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate

methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate (PubChem CID 107042301) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
PubChem CID107042301
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Namemethyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCc1nnn(C)n1
InChIInChI=1S/C10H19N5O2/c1-7(2)5-8(10(16)17-4)11-6-9-12-14-15(3)13-9/h7-8,11H,5-6H2,1-4H3
InChIKeyNKECJVCTXPOCCO-UHFFFAOYSA-N
XLogP-0.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate 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

4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
2-[(2-methyltetrazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 107042657
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
N-cyclopropyl-2-[(2-methyltetrazol-5-yl)methylamino]propanamide
CID 107042658
methyl 4-methyl-2-(1H-pyrrol-2-ylmethylamino)pentanoate
CID 62329227
methyl 2-hydroxy-2-(2-methyltetrazol-5-yl)acetate
CID 127004730
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl 2-[(3,4-dichlorophenyl)methylamino]-4-methylpentanoate
CID 43230623
methyl 2-[(4-chlorophenyl)methylamino]-4-methylpentanoate
CID 43230599
methyl 4-methyl-2-[(2,4,6-trimethylphenyl)methylamino]pentanoate
CID 43688936
methyl 2-[(3,5-difluorophenyl)methylamino]-4-methylpentanoate
CID 105403073
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate (CID 107042301) is methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCc1nnn(C)n1.
What is the InChIKey of methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate?
The InChIKey is NKECJVCTXPOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-7(2)5-8(10(16)17-4)11-6-9-12-14-15(3)13-9/h7-8,11H,5-6H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate has a molecular weight of 241.29 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentanoate is sourced from PubChem (CID 107042301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).