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

C11H19N5O6 — CID 20837634

IUPAC2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESC[C@H](N)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H19N5O6/c1-6(12)11(22)16-4-9(19)14-2-7(17)13-3-8(18)15-5-10(20)21/h6H,2-5,12H2,1H3,(H,13,17)(H,14,19)(H,15,18)(H,16,22)(H,20,21)/t6-/m0/s1
InChIKeyKKDNCTXCWZJBBV-LURJTMIESA-N
MW317.30 g/mol
LogP-4.12
Rot. Bonds9

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

2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 20837634) has the molecular formula C11H19N5O6 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID20837634
Molecular FormulaC11H19N5O6
Molecular Weight317.30 g/mol
Exact Mass317.13
IUPAC Name2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESC[C@H](N)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C11H19N5O6/c1-6(12)11(22)16-4-9(19)14-2-7(17)13-3-8(18)15-5-10(20)21/h6H,2-5,12H2,1H3,(H,13,17)(H,14,19)(H,15,18)(H,16,22)(H,20,21)/t6-/m0/s1
InChIKeyKKDNCTXCWZJBBV-LURJTMIESA-N
XLogP-4.12
TPSA179.72 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.30
LogP ≤ 5-4.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 20837634) is 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is C[C@H](N)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is KKDNCTXCWZJBBV-LURJTMIESA-N. The full InChI is InChI=1S/C11H19N5O6/c1-6(12)11(22)16-4-9(19)14-2-7(17)13-3-8(18)15-5-10(20)21/h6H,2-5,12H2,1H3,(H,13,17)(H,14,19)(H,15,18)(H,16,22)(H,20,21)/t6-/m0/s1.
What are the key properties of 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 317.30 g/mol, XLogP of -4.12, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 20837634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).