(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid

C8H15N3O4 — CID 7019039

IUPAC(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H15N3O4/c1-4(9)7(13)10-3-6(12)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
InChIKeyZVFVBBGVOILKPO-WHFBIAKZSA-N
MW217.22 g/mol
LogP-1.96
Rot. Bonds5

About (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid

(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid (PubChem CID 7019039) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid
PubChem CID7019039
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid
SMILESC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H15N3O4/c1-4(9)7(13)10-3-6(12)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1
InChIKeyZVFVBBGVOILKPO-WHFBIAKZSA-N
XLogP-1.96
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetyl-L-alanine
CID 88064
L-Alanyl-L-alanine
CID 5484352
Ala-Val
CID 96799
D-Alanyl-D-Alanine
CID 5460362
Oxalyldiaminopropionic acid
CID 2360
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029
L-Serylglycine
CID 7009644
Ala-Ser
CID 1549433
Val-Ala
CID 6992638
L-Valyl-L-valine
CID 107475
Glycyl-L-valine
CID 2724807

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid (CID 7019039) is (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid is C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid?
The InChIKey is ZVFVBBGVOILKPO-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-4(9)7(13)10-3-6(12)11-5(2)8(14)15/h4-5H,3,9H2,1-2H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid?
(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 7019039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).