(2S)-2-(ethylamino)-N-hydroxybutanediamide

C6H13N3O3 — CID 89478149

IUPAC(2S)-2-(ethylamino)-N-hydroxybutanediamide
SMILESCCN[C@@H](CC(N)=O)C(=O)NO
InChIInChI=1S/C6H13N3O3/c1-2-8-4(3-5(7)10)6(11)9-12/h4,8,12H,2-3H2,1H3,(H2,7,10)(H,9,11)/t4-/m0/s1
InChIKeyBYCHBRJUCYIPDQ-BYPYZUCNSA-N
MW175.19 g/mol
LogP-1.65
Rot. Bonds5

About (2S)-2-(ethylamino)-N-hydroxybutanediamide

(2S)-2-(ethylamino)-N-hydroxybutanediamide (PubChem CID 89478149) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-N-hydroxybutanediamide.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-N-hydroxybutanediamide
PubChem CID89478149
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-(ethylamino)-N-hydroxybutanediamide
SMILESCCN[C@@H](CC(N)=O)C(=O)NO
InChIInChI=1S/C6H13N3O3/c1-2-8-4(3-5(7)10)6(11)9-12/h4,8,12H,2-3H2,1H3,(H2,7,10)(H,9,11)/t4-/m0/s1
InChIKeyBYCHBRJUCYIPDQ-BYPYZUCNSA-N
XLogP-1.65
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(ethylamino)-N-hydroxybutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-N-propylbutanediamide
CID 59755621
3-(ethylamino)butanamide
CID 18792210
3-(ethylamino)-5-methylhexanamide
CID 64989014
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
methyl 4-amino-2-(hydroxycarbamoyl)-4-oxobutanoate
CID 174476888
(2S)-4-amino-2-(ethylamino)-4-oxobutanoic acid;(2S,3S)-3-methyl-2-(methylamino)pentanoic acid
CID 158615709
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
ethane;4-(ethylamino)-5-oxoheptanamide
CID 176556376
(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
(2S)-4-amino-4-oxo-2-(pentylamino)butanoic acid
CID 87646492
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-N-hydroxybutanediamide?
The IUPAC name of (2S)-2-(ethylamino)-N-hydroxybutanediamide (CID 89478149) is (2S)-2-(ethylamino)-N-hydroxybutanediamide.
What is the SMILES notation for (2S)-2-(ethylamino)-N-hydroxybutanediamide?
The canonical SMILES for (2S)-2-(ethylamino)-N-hydroxybutanediamide is CCN[C@@H](CC(N)=O)C(=O)NO.
What is the InChIKey of (2S)-2-(ethylamino)-N-hydroxybutanediamide?
The InChIKey is BYCHBRJUCYIPDQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-2-8-4(3-5(7)10)6(11)9-12/h4,8,12H,2-3H2,1H3,(H2,7,10)(H,9,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-N-hydroxybutanediamide?
(2S)-2-(ethylamino)-N-hydroxybutanediamide has a molecular weight of 175.19 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-N-hydroxybutanediamide is sourced from PubChem (CID 89478149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).