2-[acetyl(carboxymethyl)amino]acetic acid

C6H9NO5 — CID 10130190

IUPAC2-[acetyl(carboxymethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)7(2-5(9)10)3-6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyULRFBIKSYXNUND-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.00
Rot. Bonds4

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

2-[acetyl(carboxymethyl)amino]acetic acid (PubChem CID 10130190) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 2-[acetyl(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(carboxymethyl)amino]acetic acid
PubChem CID10130190
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name2-[acetyl(carboxymethyl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C6H9NO5/c1-4(8)7(2-5(9)10)3-6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyULRFBIKSYXNUND-UHFFFAOYSA-N
XLogP-1.00
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nitrilotriacetic Acid
CID 8758
N-methyliminodiacetic acid
CID 20441
N,N-Diethylglycine
CID 74151
(Diethylamino)(oxo)acetic acid
CID 4180752
N-Acetyl-N-methylglycine
CID 10975514
2-[Carboxymethyl(ethyl)amino]acetic acid
CID 219585
2-[(Methoxycarbonyl)(methyl)amino]acetic acid
CID 14346035
2-[N-(phosphonomethyl)acetamido]acetic acid
CID 23510850
2-(N,2-dimethylpropanamido)acetic acid
CID 15640234
Glycine, N-(carboxycarbonyl)-N-methyl-
CID 14985601
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
N-acetyl sarcosine O-methyl ester
CID 21718769

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[acetyl(carboxymethyl)amino]acetic acid (CID 10130190) is 2-[acetyl(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(carboxymethyl)amino]acetic acid is CC(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[acetyl(carboxymethyl)amino]acetic acid?
The InChIKey is ULRFBIKSYXNUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-4(8)7(2-5(9)10)3-6(11)12/h2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[acetyl(carboxymethyl)amino]acetic acid?
2-[acetyl(carboxymethyl)amino]acetic acid has a molecular weight of 175.14 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 10130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).