2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid

C11H22N4O5 — CID 16722389

IUPAC2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid
SMILESC[C@@H](CN(CC(N)=O)CC(=O)O)N(CCO)CC(N)=O
InChIInChI=1S/C11H22N4O5/c1-8(15(2-3-16)6-10(13)18)4-14(5-9(12)17)7-11(19)20/h8,16H,2-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1
InChIKeyPRLGTWFYQHWQHR-QMMMGPOBSA-N
MW290.32 g/mol
LogP-2.97
Rot. Bonds11

About 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid (PubChem CID 16722389) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid
PubChem CID16722389
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Name2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid
SMILESC[C@@H](CN(CC(N)=O)CC(=O)O)N(CCO)CC(N)=O
InChIInChI=1S/C11H22N4O5/c1-8(15(2-3-16)6-10(13)18)4-14(5-9(12)17)7-11(19)20/h8,16H,2-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1
InChIKeyPRLGTWFYQHWQHR-QMMMGPOBSA-N
XLogP-2.97
TPSA150.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-2.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid (CID 16722389) is 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid is C[C@@H](CN(CC(N)=O)CC(=O)O)N(CCO)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid?
The InChIKey is PRLGTWFYQHWQHR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N4O5/c1-8(15(2-3-16)6-10(13)18)4-14(5-9(12)17)7-11(19)20/h8,16H,2-7H2,1H3,(H2,12,17)(H2,13,18)(H,19,20)/t8-/m0/s1.
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of -2.97, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(2-hydroxyethyl)amino]propyl]amino]acetic acid is sourced from PubChem (CID 16722389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).