ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate

C12H22N2O4 — CID 115758309

IUPACethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H22N2O4/c1-3-18-11(16)13-10(15)8-14(2)9-12(17)6-4-5-7-12/h17H,3-9H2,1-2H3,(H,13,15,16)
InChIKeyKBAZGVCQHZDACO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.50
Rot. Bonds5

About ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate

ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate (PubChem CID 115758309) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
PubChem CID115758309
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC1(O)CCCC1
InChIInChI=1S/C12H22N2O4/c1-3-18-11(16)13-10(15)8-14(2)9-12(17)6-4-5-7-12/h17H,3-9H2,1-2H3,(H,13,15,16)
InChIKeyKBAZGVCQHZDACO-UHFFFAOYSA-N
XLogP0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(1-hydroxycyclopentyl)methyl-methylamino]-2,2-dimethyl-3-oxobutanoate
CID 114950453
N-cycloheptyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 115758301
ethyl 3-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanoate
CID 114950146
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 115758597
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
N-(4-aminophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948014
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55005595
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007638
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]acetate
CID 115867673
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate (CID 115758309) is ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(C)CC1(O)CCCC1.
What is the InChIKey of ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate?
The InChIKey is KBAZGVCQHZDACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-18-11(16)13-10(15)8-14(2)9-12(17)6-4-5-7-12/h17H,3-9H2,1-2H3,(H,13,15,16).
What are the key properties of ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate?
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate is sourced from PubChem (CID 115758309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).