2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid

C12H22N2O4 — CID 61203323

IUPAC2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-3-6-14(9-11(15)16)12(17)13(2)10-4-7-18-8-5-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyHCIXFEDGCLEGPP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds5

About 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid

2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid (PubChem CID 61203323) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
PubChem CID61203323
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-3-6-14(9-11(15)16)12(17)13(2)10-4-7-18-8-5-10/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyHCIXFEDGCLEGPP-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid (CID 61203323) is 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)C1CCOCC1.
What is the InChIKey of 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid?
The InChIKey is HCIXFEDGCLEGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-6-14(9-11(15)16)12(17)13(2)10-4-7-18-8-5-10/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid?
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 61203323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).