2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid

C10H20N2O4 — CID 82012633

IUPAC2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
SMILESCC(CN)CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H20N2O4/c1-6(5-11)3-4-8(14)12-9(7(2)13)10(15)16/h6-7,9,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMWCTYFSWXVGLFZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds7

About 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid

2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid (PubChem CID 82012633) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
PubChem CID82012633
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid
SMILESCC(CN)CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H20N2O4/c1-6(5-11)3-4-8(14)12-9(7(2)13)10(15)16/h6-7,9,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMWCTYFSWXVGLFZ-UHFFFAOYSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-amino-4-methylpentanoyl)amino]-3-methylbutanoic acid
CID 82010947
2-[(5-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
CID 82011210
(2S)-2-[(5-amino-4-methylpentanoyl)amino]butanoic acid
CID 82689262
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
(2S)-2-(hexanoylamino)-3-hydroxybutanoic acid
CID 88714343
3-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82687956
(2S,3R)-2-[3-(ethylamino)propanoylamino]-3-hydroxybutanoic acid
CID 104965396
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
methyl (2S)-2-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011707

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid (CID 82012633) is 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid is CC(CN)CCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is MWCTYFSWXVGLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-6(5-11)3-4-8(14)12-9(7(2)13)10(15)16/h6-7,9,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid?
2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylpentanoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 82012633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).