2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid

C11H18N2O6 — CID 91150054

IUPAC2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CCN(CC(=O)O)C(C)=O)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-8(14)5-12(6-10(16)17)3-4-13(9(2)15)7-11(18)19/h3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRZUPFIZAJGVOHJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.10
Rot. Bonds9

About 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid

2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid (PubChem CID 91150054) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
PubChem CID91150054
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CCN(CC(=O)O)C(C)=O)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-8(14)5-12(6-10(16)17)3-4-13(9(2)15)7-11(18)19/h3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyRZUPFIZAJGVOHJ-UHFFFAOYSA-N
XLogP-1.10
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[acetyl(propyl)amino]acetic acid
CID 23279438
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[carboxy(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 10206046
2-[2-[[3-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-oxopropanoyl]-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 18346525
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
CID 87075460

Frequently Asked Questions

What is the IUPAC name of 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid (CID 91150054) is 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid is CC(=O)CN(CCN(CC(=O)O)C(C)=O)CC(=O)O.
What is the InChIKey of 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid?
The InChIKey is RZUPFIZAJGVOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-8(14)5-12(6-10(16)17)3-4-13(9(2)15)7-11(18)19/h3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid?
2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[acetyl(carboxymethyl)amino]ethyl-(2-oxopropyl)amino]acetic acid is sourced from PubChem (CID 91150054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).