(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid

C12H22N4O2 — CID 58595292

IUPAC(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)[C@H](c1nnnn1C)C(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)6-9(12(17)18)10(8(3)4)11-13-14-15-16(11)5/h7-10H,6H2,1-5H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyJCVVJVMJFMVGRB-NXEZZACHSA-N
MW254.33 g/mol
LogP1.70
Rot. Bonds6

About (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid

(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid (PubChem CID 58595292) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid
PubChem CID58595292
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)[C@H](c1nnnn1C)C(C)C
InChIInChI=1S/C12H22N4O2/c1-7(2)6-9(12(17)18)10(8(3)4)11-13-14-15-16(11)5/h7-10H,6H2,1-5H3,(H,17,18)/t9-,10-/m1/s1
InChIKeyJCVVJVMJFMVGRB-NXEZZACHSA-N
XLogP1.70
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-(1-propyltetrazol-5-yl)ethyl]pentanoic acid
CID 22243678
3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid
CID 65226801
2-(1-methyltetrazol-5-yl)pentan-3-one
CID 63550163
3-amino-3-(1-methyltetrazol-5-yl)propanoic acid
CID 84653997
4-methyl-3-(1-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 63197289
(1R)-1-(1-methyltetrazol-5-yl)ethanol
CID 93497611
2-methyl-3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538122
3-(1-methyltetrazol-5-yl)butan-2-ol
CID 63204940
2-[2-methylpropyl-(1-methyltetrazol-5-yl)amino]acetic acid
CID 63152259
1-(1-methyltetrazol-5-yl)ethanamine
CID 75355753
2-[5-(3-methylbutan-2-yl)tetrazol-1-yl]propanoic acid
CID 66042986
2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
CID 63152586

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid?
The IUPAC name of (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid (CID 58595292) is (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid.
What is the SMILES notation for (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid?
The canonical SMILES for (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid is CC(C)C[C@@H](C(=O)O)[C@H](c1nnnn1C)C(C)C.
What is the InChIKey of (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid?
The InChIKey is JCVVJVMJFMVGRB-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7(2)6-9(12(17)18)10(8(3)4)11-13-14-15-16(11)5/h7-10H,6H2,1-5H3,(H,17,18)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid?
(2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-methyl-2-(2-methylpropyl)-3-(1-methyltetrazol-5-yl)pentanoic acid is sourced from PubChem (CID 58595292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).