4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid

C10H20N2O4 — CID 107836168

IUPAC4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
SMILESCCNCC(C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-11-6-7(2)9(14)12-5-4-8(13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXWWIRQHTBAVSNM-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.82
Rot. Bonds8

About 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid

4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107836168) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
PubChem CID107836168
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid
SMILESCCNCC(C)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-3-11-6-7(2)9(14)12-5-4-8(13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXWWIRQHTBAVSNM-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

Analyze 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid 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

(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
(2S)-4-[[2-(ethylamino)acetyl]amino]-2-hydroxybutanoic acid
CID 107836525
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
4-(2-ethylbutanoylamino)-2-hydroxybutanoic acid
CID 107832641
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
2-hydroxy-3-(2-methylbutanoylamino)propanoic acid
CID 66167020
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107836107
(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
2-[[3-(ethylamino)-2-methylpropanoyl]amino]pentanoic acid
CID 62837131
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid (CID 107836168) is 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid is CCNCC(C)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is XWWIRQHTBAVSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-3-11-6-7(2)9(14)12-5-4-8(13)10(15)16/h7-8,11,13H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid?
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic 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 4-[[3-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).