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

C6H14N2O2 — CID 44891253

IUPAC(2R)-2-amino-4-(ethylamino)butanoic acid
SMILESCCNCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-8-4-3-5(7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyXEPKOIOJGLMVRJ-RXMQYKEDSA-N
MW146.19 g/mol
LogP-0.60
Rot. Bonds5

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

(2R)-2-amino-4-(ethylamino)butanoic acid (PubChem CID 44891253) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R)-2-amino-4-(ethylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(ethylamino)butanoic acid
PubChem CID44891253
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2R)-2-amino-4-(ethylamino)butanoic acid
SMILESCCNCC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2/c1-2-8-4-3-5(7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyXEPKOIOJGLMVRJ-RXMQYKEDSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(ethylamino)pentanoic acid
CID 4868762
(3R)-3-amino-5-(ethylamino)pentan-2-one
CID 89122080
4-amino-6-(ethylamino)hexan-3-one
CID 163948999
2-amino-4-(aminomethylamino)butanoic acid
CID 58794826
(2R)-2-amino-4-(2-oxoethylamino)butanoic acid;(2S)-2-amino-4-(2-oxoethylamino)butanoic acid
CID 155390732
2-amino-6-(ethylamino)-5-oxohexanoic acid
CID 11435396
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308
(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
CID 89392490
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(ethylamino)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(ethylamino)butanoic acid (CID 44891253) is (2R)-2-amino-4-(ethylamino)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(ethylamino)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(ethylamino)butanoic acid is CCNCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(ethylamino)butanoic acid?
The InChIKey is XEPKOIOJGLMVRJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-8-4-3-5(7)6(9)10/h5,8H,2-4,7H2,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-(ethylamino)butanoic acid?
(2R)-2-amino-4-(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 (2R)-2-amino-4-(ethylamino)butanoic acid is sourced from PubChem (CID 44891253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).