(3R)-3-(carboxylatomethylazaniumyl)butanoate

C6H10NO4- — CID 165368692

IUPAC(3R)-3-(carboxylatomethylazaniumyl)butanoate
SMILESC[C@H](CC(=O)[O-])[NH2+]CC(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
InChIKeyVRGLRLBEHJTRMK-SCSAIBSYSA-M
MW160.15 g/mol
LogP-4.17
Rot. Bonds5

About (3R)-3-(carboxylatomethylazaniumyl)butanoate

(3R)-3-(carboxylatomethylazaniumyl)butanoate (PubChem CID 165368692) has the molecular formula C6H10NO4- and a molecular weight of 160.15 g/mol. Its IUPAC name is (3R)-3-(carboxylatomethylazaniumyl)butanoate.

Molecular Properties

Compound Name(3R)-3-(carboxylatomethylazaniumyl)butanoate
PubChem CID165368692
Molecular FormulaC6H10NO4-
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC Name(3R)-3-(carboxylatomethylazaniumyl)butanoate
SMILESC[C@H](CC(=O)[O-])[NH2+]CC(=O)[O-]
InChIInChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1
InChIKeyVRGLRLBEHJTRMK-SCSAIBSYSA-M
XLogP-4.17
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-4.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carboxylatomethylazaniumyl)butanoate?
The IUPAC name of (3R)-3-(carboxylatomethylazaniumyl)butanoate (CID 165368692) is (3R)-3-(carboxylatomethylazaniumyl)butanoate.
What is the SMILES notation for (3R)-3-(carboxylatomethylazaniumyl)butanoate?
The canonical SMILES for (3R)-3-(carboxylatomethylazaniumyl)butanoate is C[C@H](CC(=O)[O-])[NH2+]CC(=O)[O-].
What is the InChIKey of (3R)-3-(carboxylatomethylazaniumyl)butanoate?
The InChIKey is VRGLRLBEHJTRMK-SCSAIBSYSA-M. The full InChI is InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-1/t4-/m1/s1.
What are the key properties of (3R)-3-(carboxylatomethylazaniumyl)butanoate?
(3R)-3-(carboxylatomethylazaniumyl)butanoate has a molecular weight of 160.15 g/mol, XLogP of -4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carboxylatomethylazaniumyl)butanoate is sourced from PubChem (CID 165368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).