2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid

C11H19NO5 — CID 114948607

IUPAC2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC1(O)CCCC1)C(=O)COCC(=O)O
InChIInChI=1S/C11H19NO5/c1-12(8-11(16)4-2-3-5-11)9(13)6-17-7-10(14)15/h16H,2-8H2,1H3,(H,14,15)
InChIKeyUXYRTAOZKPBUKB-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.15
Rot. Bonds6

About 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid

2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 114948607) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
PubChem CID114948607
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
SMILESCN(CC1(O)CCCC1)C(=O)COCC(=O)O
InChIInChI=1S/C11H19NO5/c1-12(8-11(16)4-2-3-5-11)9(13)6-17-7-10(14)15/h16H,2-8H2,1H3,(H,14,15)
InChIKeyUXYRTAOZKPBUKB-UHFFFAOYSA-N
XLogP-0.15
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid (CID 114948607) is 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid is CN(CC1(O)CCCC1)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is UXYRTAOZKPBUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-12(8-11(16)4-2-3-5-11)9(13)6-17-7-10(14)15/h16H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 245.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 114948607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).