(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid

C8H14N2O5 — CID 104875555

IUPAC(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(15-5(2)7(12)13)6(11)10-8(14)9-3/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14)/t4?,5-/m1/s1
InChIKeyLATFHRFPFMYWHF-BRJRFNKRSA-N
MW218.21 g/mol
LogP-0.68
Rot. Bonds4

About (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid

(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 104875555) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID104875555
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-4(15-5(2)7(12)13)6(11)10-8(14)9-3/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14)/t4?,5-/m1/s1
InChIKeyLATFHRFPFMYWHF-BRJRFNKRSA-N
XLogP-0.68
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid (CID 104875555) is (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid is CNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is LATFHRFPFMYWHF-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-4(15-5(2)7(12)13)6(11)10-8(14)9-3/h4-5H,1-3H3,(H,12,13)(H2,9,10,11,14)/t4?,5-/m1/s1.
What are the key properties of (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
(2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 218.21 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 104875555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).