(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid

C7H12N2O5 — CID 104875402

IUPAC(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-5(10)9-7(13)8-2/h4H,3H2,1-2H3,(H,11,12)(H2,8,9,10,13)/t4-/m1/s1
InChIKeyBLGNDOFYLLGBHN-SCSAIBSYSA-N
MW204.18 g/mol
LogP-1.07
Rot. Bonds4

About (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid

(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid (PubChem CID 104875402) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid
PubChem CID104875402
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid
SMILESCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-5(10)9-7(13)8-2/h4H,3H2,1-2H3,(H,11,12)(H2,8,9,10,13)/t4-/m1/s1
InChIKeyBLGNDOFYLLGBHN-SCSAIBSYSA-N
XLogP-1.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid (CID 104875402) is (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid is CNC(=O)NC(=O)CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid?
The InChIKey is BLGNDOFYLLGBHN-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-5(10)9-7(13)8-2/h4H,3H2,1-2H3,(H,11,12)(H2,8,9,10,13)/t4-/m1/s1.
What are the key properties of (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid?
(2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid has a molecular weight of 204.18 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(methylcarbamoylamino)-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).