2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid

C10H20N2O4 — CID 66107045

IUPAC2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
SMILESCC(=O)NC(CNCC(C)CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(3-4-13)5-11-6-9(10(15)16)12-8(2)14/h7,9,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGJPBGUNYZYVYHT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.82
Rot. Bonds8

About 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid

2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid (PubChem CID 66107045) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
PubChem CID66107045
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid
SMILESCC(=O)NC(CNCC(C)CCO)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(3-4-13)5-11-6-9(10(15)16)12-8(2)14/h7,9,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGJPBGUNYZYVYHT-UHFFFAOYSA-N
XLogP-0.82
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-[(3-methoxy-2-methylpropyl)amino]propanoic acid
CID 64582080
2-acetamido-3-(2,2-dimethylpropylamino)propanoic acid
CID 64583872
2-acetamido-3-(2-methylprop-2-enylamino)propanoic acid
CID 114616873
(2S)-2-acetamido-3-[(2S)-4-hydroxybutan-2-yl]sulfanylpropanoic acid
CID 40642498
(2R)-2-acetamido-3-(4-hydroxybutan-2-ylsulfanyl)propanoic acid
CID 46780019
2-[(4-hydroxy-2-methylbutyl)amino]pentanoic acid
CID 83041748
2-acetamido-3-[3-[methyl(propan-2-yl)amino]propylamino]propanoic acid
CID 106036472
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
propan-2-yl (2S)-2-acetamido-4-hydroxybutanoate
CID 87894989

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid (CID 66107045) is 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid is CC(=O)NC(CNCC(C)CCO)C(=O)O.
What is the InChIKey of 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid?
The InChIKey is GJPBGUNYZYVYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(3-4-13)5-11-6-9(10(15)16)12-8(2)14/h7,9,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid?
2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.82, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[(4-hydroxy-2-methylbutyl)amino]propanoic acid is sourced from PubChem (CID 66107045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).