2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid

C11H19NO5 — CID 106120428

IUPAC2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H19NO5/c13-9-3-1-8(2-4-9)5-12-10(14)6-17-7-11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeyVHZXLSMAIRUWOE-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.25
Rot. Bonds6

About 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid

2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid (PubChem CID 106120428) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
PubChem CID106120428
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C11H19NO5/c13-9-3-1-8(2-4-9)5-12-10(14)6-17-7-11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeyVHZXLSMAIRUWOE-UHFFFAOYSA-N
XLogP-0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[(4-hydroxycyclohexyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 106137808
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-[(4-hydroxycyclohexyl)methyl]-3-methylbut-2-enamide
CID 106123870
2-(2-amino-2-methylpropoxy)-N-(cyclopropylmethyl)acetamide
CID 64538004
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid (CID 106120428) is 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is VHZXLSMAIRUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c13-9-3-1-8(2-4-9)5-12-10(14)6-17-7-11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 245.27 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-hydroxycyclohexyl)methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 106120428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).