2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid

C11H20N4O5 — CID 16722451

IUPAC2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid
SMILESC[C@@H](CN(CC=O)CC(N)=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N4O5/c1-8(4-14(2-3-16)5-9(12)17)15(6-10(13)18)7-11(19)20/h3,8H,2,4-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1
InChIKeyWZUARWACXZFGBY-QMMMGPOBSA-N
MW288.30 g/mol
LogP-2.77
Rot. Bonds11

About 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid (PubChem CID 16722451) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid
PubChem CID16722451
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid
SMILESC[C@@H](CN(CC=O)CC(N)=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H20N4O5/c1-8(4-14(2-3-16)5-9(12)17)15(6-10(13)18)7-11(19)20/h3,8H,2,4-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1
InChIKeyWZUARWACXZFGBY-QMMMGPOBSA-N
XLogP-2.77
TPSA147.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-2.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid (CID 16722451) is 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid is C[C@@H](CN(CC=O)CC(N)=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid?
The InChIKey is WZUARWACXZFGBY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-8(4-14(2-3-16)5-9(12)17)15(6-10(13)18)7-11(19)20/h3,8H,2,4-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1.
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2S)-1-[(2-amino-2-oxoethyl)-(2-oxoethyl)amino]propan-2-yl]amino]acetic acid is sourced from PubChem (CID 16722451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).