(3R)-3-(ethylamino)butanoic acid

C6H13NO2 — CID 51704107

IUPAC(3R)-3-(ethylamino)butanoic acid
SMILESCCN[C@H](C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyNKDCZZABOMHICR-RXMQYKEDSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About (3R)-3-(ethylamino)butanoic acid

(3R)-3-(ethylamino)butanoic acid (PubChem CID 51704107) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3R)-3-(ethylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(ethylamino)butanoic acid
PubChem CID51704107
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3R)-3-(ethylamino)butanoic acid
SMILESCCN[C@H](C)CC(=O)O
InChIInChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyNKDCZZABOMHICR-RXMQYKEDSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(ethylamino)butanoic acid?
The IUPAC name of (3R)-3-(ethylamino)butanoic acid (CID 51704107) is (3R)-3-(ethylamino)butanoic acid.
What is the SMILES notation for (3R)-3-(ethylamino)butanoic acid?
The canonical SMILES for (3R)-3-(ethylamino)butanoic acid is CCN[C@H](C)CC(=O)O.
What is the InChIKey of (3R)-3-(ethylamino)butanoic acid?
The InChIKey is NKDCZZABOMHICR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-7-5(2)4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-3-(ethylamino)butanoic acid?
(3R)-3-(ethylamino)butanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(ethylamino)butanoic acid is sourced from PubChem (CID 51704107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).