(2S)-4-amino-2-(ethylamino)butanoic acid

C6H14N2O2 — CID 89433986

IUPAC(2S)-4-amino-2-(ethylamino)butanoic acid
SMILESCCN[C@@H](CCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-8-5(3-4-7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyPEAXUYOWZRYZML-YFKPBYRVSA-N
MW146.19 g/mol
LogP-0.60
Rot. Bonds5

About (2S)-4-amino-2-(ethylamino)butanoic acid

(2S)-4-amino-2-(ethylamino)butanoic acid (PubChem CID 89433986) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-4-amino-2-(ethylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-(ethylamino)butanoic acid
PubChem CID89433986
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-4-amino-2-(ethylamino)butanoic acid
SMILESCCN[C@@H](CCN)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-8-5(3-4-7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m0/s1
InChIKeyPEAXUYOWZRYZML-YFKPBYRVSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
2-(ethylamino)hexanedioic acid
CID 88869975
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
4-amino-2-methylbutanoic acid
CID 3759025
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
CID 167006530
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(ethylamino)butanoic acid?
The IUPAC name of (2S)-4-amino-2-(ethylamino)butanoic acid (CID 89433986) is (2S)-4-amino-2-(ethylamino)butanoic acid.
What is the SMILES notation for (2S)-4-amino-2-(ethylamino)butanoic acid?
The canonical SMILES for (2S)-4-amino-2-(ethylamino)butanoic acid is CCN[C@@H](CCN)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-(ethylamino)butanoic acid?
The InChIKey is PEAXUYOWZRYZML-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-8-5(3-4-7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-4-amino-2-(ethylamino)butanoic acid?
(2S)-4-amino-2-(ethylamino)butanoic acid has a molecular weight of 146.19 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(ethylamino)butanoic acid is sourced from PubChem (CID 89433986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).