2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid

C13H25N3O5 — CID 18224181

IUPAC2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C(N)C(C)O)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-6(2)10(13(20)21)16-11(18)7(3)15-12(19)9(14)8(4)17/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyPXQUBKWZENPDGE-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.19
Rot. Bonds8

About 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid

2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid (PubChem CID 18224181) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid
PubChem CID18224181
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Name2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)C(C)NC(=O)C(N)C(C)O)C(=O)O
InChIInChI=1S/C13H25N3O5/c1-5-6(2)10(13(20)21)16-11(18)7(3)15-12(19)9(14)8(4)17/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyPXQUBKWZENPDGE-UHFFFAOYSA-N
XLogP-1.19
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-hydroxybutanoic acid
CID 18500620
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]acetic acid
CID 18745284
(2S)-2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61174009
4-amino-2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18748694
(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
CID 145458048
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid
CID 18745465
3-[(2-amino-3-methylpentanoyl)amino]-4-[[1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18501818
2-[[4-amino-2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
CID 18500653
2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid
CID 18746342
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18250113
2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoic acid
CID 18750136

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid (CID 18224181) is 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid is CCC(C)C(NC(=O)C(C)NC(=O)C(N)C(C)O)C(=O)O.
What is the InChIKey of 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid?
The InChIKey is PXQUBKWZENPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-5-6(2)10(13(20)21)16-11(18)7(3)15-12(19)9(14)8(4)17/h6-10,17H,5,14H2,1-4H3,(H,15,19)(H,16,18)(H,20,21).
What are the key properties of 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid?
2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid has a molecular weight of 303.36 g/mol, XLogP of -1.19, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-methylpentanoic acid is sourced from PubChem (CID 18224181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).