(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid

C6H10N2O5 — CID 14284575

IUPAC(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid
SMILESN[C@H](CC(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyZTEDWFWBGPKUOD-GSVOUGTGSA-N
MW190.15 g/mol
LogP-2.01
Rot. Bonds5

About (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid

(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid (PubChem CID 14284575) has the molecular formula C6H10N2O5 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid
PubChem CID14284575
Molecular FormulaC6H10N2O5
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid
SMILESN[C@H](CC(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1
InChIKeyZTEDWFWBGPKUOD-GSVOUGTGSA-N
XLogP-2.01
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid (CID 14284575) is (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid is N[C@H](CC(=O)NCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid?
The InChIKey is ZTEDWFWBGPKUOD-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid?
(2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid has a molecular weight of 190.15 g/mol, XLogP of -2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(carboxymethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 14284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).