(3R)-3-azaniumyl-4-methylpentanoate

C6H13NO2 — CID 6934188

IUPAC(3R)-3-azaniumyl-4-methylpentanoate
SMILESCC(C)[C@H]([NH3+])CC(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyGLUJNGJDHCTUJY-RXMQYKEDSA-N
MW131.18 g/mol
LogP-1.61
Rot. Bonds3

About (3R)-3-azaniumyl-4-methylpentanoate

(3R)-3-azaniumyl-4-methylpentanoate (PubChem CID 6934188) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R)-3-azaniumyl-4-methylpentanoate.

Molecular Properties

Compound Name(3R)-3-azaniumyl-4-methylpentanoate
PubChem CID6934188
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R)-3-azaniumyl-4-methylpentanoate
SMILESCC(C)[C@H]([NH3+])CC(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyGLUJNGJDHCTUJY-RXMQYKEDSA-N
XLogP-1.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Leucine zwitterion
CID 7045798
2-Azaniumyl-4-methylpentanoate
CID 5255803
(3S)-beta-leucine
CID 439734
(3R)-beta-Leucine
CID 2761558
(3S)-3-azaniumyl-4-methylpentanoate
CID 6934189
CID 6950207
CID 6950207
Beta-Leucine
CID 193411
3-Amino-4,4-dimethylpentanoic acid
CID 2733733
L-leucinate
CID 5460901
(3R)-3-amino-4-methylpentanoic acid hydrochloride
CID 2761557
(R)-3-Amino-4,4-dimethylpentanoic acid
CID 7010080
(3S)-3-amino-4,4-dimethylpentanoic acid
CID 7157340

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azaniumyl-4-methylpentanoate?
The IUPAC name of (3R)-3-azaniumyl-4-methylpentanoate (CID 6934188) is (3R)-3-azaniumyl-4-methylpentanoate.
What is the SMILES notation for (3R)-3-azaniumyl-4-methylpentanoate?
The canonical SMILES for (3R)-3-azaniumyl-4-methylpentanoate is CC(C)[C@H]([NH3+])CC(=O)[O-].
What is the InChIKey of (3R)-3-azaniumyl-4-methylpentanoate?
The InChIKey is GLUJNGJDHCTUJY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-3-azaniumyl-4-methylpentanoate?
(3R)-3-azaniumyl-4-methylpentanoate has a molecular weight of 131.18 g/mol, XLogP of -1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azaniumyl-4-methylpentanoate is sourced from PubChem (CID 6934188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).