2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid

C11H20N2O4 — CID 61439375

IUPAC2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-13(7-9-5-4-6-17-9)11(16)12(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeySACVYIHMBZTPDI-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.62
Rot. Bonds5

About 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid

2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid (PubChem CID 61439375) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
PubChem CID61439375
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-13(7-9-5-4-6-17-9)11(16)12(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeySACVYIHMBZTPDI-UHFFFAOYSA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-[butan-2-yl-[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61439234
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
2-[ethyl-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 63708066
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid (CID 61439375) is 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid is CCN(CC1CCCO1)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid?
The InChIKey is SACVYIHMBZTPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-13(7-9-5-4-6-17-9)11(16)12(2)8-10(14)15/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid?
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid is sourced from PubChem (CID 61439375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).