2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid

C8H15N3O4 — CID 7010590

IUPAC2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-4(9)7(14)11-5(2)8(15)10-3-6(12)13/h4-5H,3,9H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t4-,5-/m0/s1
InChIKeyRLMISHABBKUNFO-WHFBIAKZSA-N
MW217.22 g/mol
LogP-1.96
Rot. Bonds5

About 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid

2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid (PubChem CID 7010590) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid
PubChem CID7010590
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O4/c1-4(9)7(14)11-5(2)8(15)10-3-6(12)13/h4-5H,3,9H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t4-,5-/m0/s1
InChIKeyRLMISHABBKUNFO-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

Analyze 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Acetyl-L-alanine
CID 88064
L-Alanyl-L-alanine
CID 5484352
Ala-Val
CID 96799
D-Alanyl-D-Alanine
CID 5460362
Glycylglycylglycine
CID 11161
Oxalyldiaminopropionic acid
CID 2360
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Gly
CID 6998029
Propionylglycine
CID 98681
Ala-Ser
CID 1549433
Val-Ala
CID 6992638
Glycyl-L-valine
CID 2724807

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid (CID 7010590) is 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid is C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid?
The InChIKey is RLMISHABBKUNFO-WHFBIAKZSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-4(9)7(14)11-5(2)8(15)10-3-6(12)13/h4-5H,3,9H2,1-2H3,(H,10,15)(H,11,14)(H,12,13)/t4-,5-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid?
2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic 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 2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetic acid is sourced from PubChem (CID 7010590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).