2-(carboxymethylamino)acetic acid

C4H7NO4 — CID 8897

IUPAC2-(carboxymethylamino)acetic acid
SMILESO=C(O)CNCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-N
MW133.10 g/mol
LogP-1.25
Rot. Bonds4

About 2-(carboxymethylamino)acetic acid

2-(carboxymethylamino)acetic acid (PubChem CID 8897) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 2-(carboxymethylamino)acetic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)acetic acid
PubChem CID8897
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name2-(carboxymethylamino)acetic acid
SMILESO=C(O)CNCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-N
XLogP-1.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
2-[(3-amino-2-oxopropyl)amino]acetic acid;hydrochloride
CID 87629074
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
sodium 2-(2-hydroxyethylamino)acetic acid
CID 22056559
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
2-(2-chloroethylamino)acetic acid
CID 19860488
2-(prop-2-ynylamino)acetic acid
CID 88693817

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)acetic acid?
The IUPAC name of 2-(carboxymethylamino)acetic acid (CID 8897) is 2-(carboxymethylamino)acetic acid.
What is the SMILES notation for 2-(carboxymethylamino)acetic acid?
The canonical SMILES for 2-(carboxymethylamino)acetic acid is O=C(O)CNCC(=O)O.
What is the InChIKey of 2-(carboxymethylamino)acetic acid?
The InChIKey is NBZBKCUXIYYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 2-(carboxymethylamino)acetic acid?
2-(carboxymethylamino)acetic acid has a molecular weight of 133.10 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)acetic acid is sourced from PubChem (CID 8897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).