2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid

C12H21NO5 — CID 65123303

IUPAC2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H21NO5/c14-10(7-18-8-11(15)16)13-9-12(17)5-3-1-2-4-6-12/h17H,1-9H2,(H,13,14)(H,15,16)
InChIKeyYSWVMFCECQCYOU-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.29
Rot. Bonds6

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

2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 65123303) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID65123303
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H21NO5/c14-10(7-18-8-11(15)16)13-9-12(17)5-3-1-2-4-6-12/h17H,1-9H2,(H,13,14)(H,15,16)
InChIKeyYSWVMFCECQCYOU-UHFFFAOYSA-N
XLogP0.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108325
N-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid (CID 65123303) is 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is YSWVMFCECQCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c14-10(7-18-8-11(15)16)13-9-12(17)5-3-1-2-4-6-12/h17H,1-9H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 259.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 65123303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).