Val-Gly-Leu

C13H25N3O4 — CID 44230565

IUPAC(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)N
InChIInChI=1S/C13H25N3O4/c1-7(2)5-9(13(19)20)16-10(17)6-15-12(18)11(14)8(3)4/h7-9,11H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
InChIKeyURIRWLJVWHYLET-ONGXEEELSA-N
MW287.36 g/mol
LogP-2.70
Rot. Bonds8

About Val-Gly-Leu

Val-Gly-Leu (PubChem CID 44230565) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound NameVal-Gly-Leu
PubChem CID44230565
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name(2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)N
InChIInChI=1S/C13H25N3O4/c1-7(2)5-9(13(19)20)16-10(17)6-15-12(18)11(14)8(3)4/h7-9,11H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
InChIKeyURIRWLJVWHYLET-ONGXEEELSA-N
XLogP-2.70
TPSA122.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity356

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Val-Gly-Leu?
The IUPAC name of Val-Gly-Leu (CID 44230565) is (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for Val-Gly-Leu?
The canonical SMILES for Val-Gly-Leu is CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)N.
What is the InChIKey of Val-Gly-Leu?
The InChIKey is URIRWLJVWHYLET-ONGXEEELSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-7(2)5-9(13(19)20)16-10(17)6-15-12(18)11(14)8(3)4/h7-9,11H,5-6,14H2,1-4H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1.
What are the key properties of Val-Gly-Leu?
Val-Gly-Leu has a molecular weight of 287.36 g/mol, XLogP of -2.70, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Val-Gly-Leu is sourced from PubChem (CID 44230565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).