2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid

C7H12N2O5 — CID 122536186

IUPAC2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(7(13)14)9(2-5(8)10)3-6(11)12/h4H,2-3H2,1H3,(H2,8,10)(H,11,12)(H,13,14)
InChIKeyKCKJVQGNDLMNCQ-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.67
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid

2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid (PubChem CID 122536186) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
PubChem CID122536186
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(7(13)14)9(2-5(8)10)3-6(11)12/h4H,2-3H2,1H3,(H2,8,10)(H,11,12)(H,13,14)
InChIKeyKCKJVQGNDLMNCQ-UHFFFAOYSA-N
XLogP-1.67
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[(2-amino-2-oxoethyl)-(1-cyanoethyl)amino]acetic acid
CID 107440314
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
CID 62922956
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
2-[(1-amino-1-oxopropan-2-yl)-propylamino]acetic acid
CID 61008085
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
(2S)-2-(diethylamino)propanoic acid
CID 18664197

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid (CID 122536186) is 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid is CC(C(=O)O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid?
The InChIKey is KCKJVQGNDLMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-4(7(13)14)9(2-5(8)10)3-6(11)12/h4H,2-3H2,1H3,(H2,8,10)(H,11,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid?
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid has a molecular weight of 204.18 g/mol, XLogP of -1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid is sourced from PubChem (CID 122536186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).