Ala-Gly-Val

C10H19N3O4 — CID 49864477

IUPAC(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylbutanoic acid
SMILESC[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)N
InChIInChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-7(14)4-12-9(15)6(3)11/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeySMCGQGDVTPFXKB-XPUUQOCRSA-N
MW245.28 g/mol
LogP-3.50
Rot. Bonds6

About Ala-Gly-Val

Ala-Gly-Val (PubChem CID 49864477) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound NameAla-Gly-Val
PubChem CID49864477
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylbutanoic acid
SMILESC[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)N
InChIInChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-7(14)4-12-9(15)6(3)11/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeySMCGQGDVTPFXKB-XPUUQOCRSA-N
XLogP-3.50
TPSA122.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity304

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-3.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Glycyl-L-leucine
CID 92843
Ala-Val
CID 96799
L-Alanyl-L-alanine
CID 5484352
L-Leucyl-L-alanine
CID 81721
L-Alanyl-L-leucine
CID 96801
D-Alanyl-D-Alanine
CID 5460362
Val-Ser
CID 6992640
L-leucyl-L-leucine
CID 76807
Ala-Ile
CID 7408079
Leu-Gly
CID 97364
Val-Ala
CID 6992638
Glycyl-L-valine
CID 2724807

Frequently Asked Questions

What is the IUPAC name of Ala-Gly-Val?
The IUPAC name of Ala-Gly-Val (CID 49864477) is (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for Ala-Gly-Val?
The canonical SMILES for Ala-Gly-Val is C[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)N.
What is the InChIKey of Ala-Gly-Val?
The InChIKey is SMCGQGDVTPFXKB-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)8(10(16)17)13-7(14)4-12-9(15)6(3)11/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1.
What are the key properties of Ala-Gly-Val?
Ala-Gly-Val has a molecular weight of 245.28 g/mol, XLogP of -3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ala-Gly-Val is sourced from PubChem (CID 49864477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).