2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

C8H14N2O5 — CID 63646159

IUPAC2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(8(15)9-2)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14)
InChIKeyMQTQZCSYRSCHON-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.41
Rot. Bonds6

About 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 63646159) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID63646159
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(8(15)9-2)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14)
InChIKeyMQTQZCSYRSCHON-UHFFFAOYSA-N
XLogP-1.41
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 63646159) is 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is CNC(=O)C(C)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is MQTQZCSYRSCHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(8(15)9-2)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 218.21 g/mol, XLogP of -1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 63646159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).