(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid

C10H18N2O5 — CID 104764145

IUPAC(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid
SMILESCOC1(CNC(=O)N[C@H](C)C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O5/c1-7(8(13)14)12-9(15)11-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-,10?/m1/s1
InChIKeyKQWQHYNDGIKYIS-PVSHWOEXSA-N
MW246.26 g/mol
LogP-0.44
Rot. Bonds5

About (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid

(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid (PubChem CID 104764145) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid
PubChem CID104764145
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid
SMILESCOC1(CNC(=O)N[C@H](C)C(=O)O)CCOC1
InChIInChI=1S/C10H18N2O5/c1-7(8(13)14)12-9(15)11-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-,10?/m1/s1
InChIKeyKQWQHYNDGIKYIS-PVSHWOEXSA-N
XLogP-0.44
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid (CID 104764145) is (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid is COC1(CNC(=O)N[C@H](C)C(=O)O)CCOC1.
What is the InChIKey of (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is KQWQHYNDGIKYIS-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-7(8(13)14)12-9(15)11-5-10(16-2)3-4-17-6-10/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-,10?/m1/s1.
What are the key properties of (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid?
(2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 104764145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).