2,3-dihydroxy-4-(2-methylpropylamino)butanamide

C8H18N2O3 — CID 91040731

IUPAC2,3-dihydroxy-4-(2-methylpropylamino)butanamide
SMILESCC(C)CNCC(O)C(O)C(N)=O
InChIInChI=1S/C8H18N2O3/c1-5(2)3-10-4-6(11)7(12)8(9)13/h5-7,10-12H,3-4H2,1-2H3,(H2,9,13)
InChIKeyQBOCIZGMQMKHAU-UHFFFAOYSA-N
MW190.24 g/mol
LogP-1.56
Rot. Bonds6

About 2,3-dihydroxy-4-(2-methylpropylamino)butanamide

2,3-dihydroxy-4-(2-methylpropylamino)butanamide (PubChem CID 91040731) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,3-dihydroxy-4-(2-methylpropylamino)butanamide.

Molecular Properties

Compound Name2,3-dihydroxy-4-(2-methylpropylamino)butanamide
PubChem CID91040731
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2,3-dihydroxy-4-(2-methylpropylamino)butanamide
SMILESCC(C)CNCC(O)C(O)C(N)=O
InChIInChI=1S/C8H18N2O3/c1-5(2)3-10-4-6(11)7(12)8(9)13/h5-7,10-12H,3-4H2,1-2H3,(H2,9,13)
InChIKeyQBOCIZGMQMKHAU-UHFFFAOYSA-N
XLogP-1.56
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroxy-4-(2-methylpropylamino)butanamide 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-amino-3-(2-methylpropylamino)propanamide
CID 103231048
CID 175939227
CID 175939227
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate
CID 175814248
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
3-(2-hydroxypropylamino)-2-methylpropanamide
CID 43499862
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-(2-methylpropylamino)oxyacetamide
CID 112672654
(2-methylpropylamino)urea
CID 55285405

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-(2-methylpropylamino)butanamide?
The IUPAC name of 2,3-dihydroxy-4-(2-methylpropylamino)butanamide (CID 91040731) is 2,3-dihydroxy-4-(2-methylpropylamino)butanamide.
What is the SMILES notation for 2,3-dihydroxy-4-(2-methylpropylamino)butanamide?
The canonical SMILES for 2,3-dihydroxy-4-(2-methylpropylamino)butanamide is CC(C)CNCC(O)C(O)C(N)=O.
What is the InChIKey of 2,3-dihydroxy-4-(2-methylpropylamino)butanamide?
The InChIKey is QBOCIZGMQMKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(2)3-10-4-6(11)7(12)8(9)13/h5-7,10-12H,3-4H2,1-2H3,(H2,9,13).
What are the key properties of 2,3-dihydroxy-4-(2-methylpropylamino)butanamide?
2,3-dihydroxy-4-(2-methylpropylamino)butanamide has a molecular weight of 190.24 g/mol, XLogP of -1.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-(2-methylpropylamino)butanamide is sourced from PubChem (CID 91040731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).