2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid

C12H20N2O5 — CID 104764165

IUPAC2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCOC1(CNC(=O)N(CC(=O)O)C2CC2)CCOC1
InChIInChI=1S/C12H20N2O5/c1-18-12(4-5-19-8-12)7-13-11(17)14(6-10(15)16)9-2-3-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyRXHYAQUBAFLCNM-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.05
Rot. Bonds6

About 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 104764165) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
PubChem CID104764165
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid
SMILESCOC1(CNC(=O)N(CC(=O)O)C2CC2)CCOC1
InChIInChI=1S/C12H20N2O5/c1-18-12(4-5-19-8-12)7-13-11(17)14(6-10(15)16)9-2-3-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16)
InChIKeyRXHYAQUBAFLCNM-UHFFFAOYSA-N
XLogP0.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid (CID 104764165) is 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is COC1(CNC(=O)N(CC(=O)O)C2CC2)CCOC1.
What is the InChIKey of 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is RXHYAQUBAFLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-18-12(4-5-19-8-12)7-13-11(17)14(6-10(15)16)9-2-3-9/h9H,2-8H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3-methoxyoxolan-3-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 104764165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).