(2R)-2-(aminomethyl)butanoic acid

C5H11NO2 — CID 51522667

IUPAC(2R)-2-(aminomethyl)butanoic acid
SMILESCC[C@H](CN)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyHBICVCPHTYGKKD-SCSAIBSYSA-N
MW117.15 g/mol
LogP0.06
Rot. Bonds3

About (2R)-2-(aminomethyl)butanoic acid

(2R)-2-(aminomethyl)butanoic acid (PubChem CID 51522667) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)butanoic acid
PubChem CID51522667
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2R)-2-(aminomethyl)butanoic acid
SMILESCC[C@H](CN)C(=O)O
InChIInChI=1S/C5H11NO2/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyHBICVCPHTYGKKD-SCSAIBSYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)butanoic acid?
The IUPAC name of (2R)-2-(aminomethyl)butanoic acid (CID 51522667) is (2R)-2-(aminomethyl)butanoic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)butanoic acid?
The canonical SMILES for (2R)-2-(aminomethyl)butanoic acid is CC[C@H](CN)C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)butanoic acid?
The InChIKey is HBICVCPHTYGKKD-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-4(3-6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)butanoic acid?
(2R)-2-(aminomethyl)butanoic acid has a molecular weight of 117.15 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)butanoic acid is sourced from PubChem (CID 51522667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).