methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate

C10H19NO3 — CID 115359540

IUPACmethyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(13)6-11-7-10(8-12)4-2-3-5-10/h11-12H,2-8H2,1H3
InChIKeyNXWGQEWWBZWIPB-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds5

About methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate

methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate (PubChem CID 115359540) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
PubChem CID115359540
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C10H19NO3/c1-14-9(13)6-11-7-10(8-12)4-2-3-5-10/h11-12H,2-8H2,1H3
InChIKeyNXWGQEWWBZWIPB-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
N,N-diethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 113293782
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 113293822
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
[1-[[2-(2-methoxyethoxy)ethylamino]methyl]cyclopentyl]methanol
CID 115359446
tert-butyl 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propanoate
CID 103263101
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 103966507
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
[1-[(2,3-dichloroprop-2-enylamino)methyl]cyclopentyl]methanol
CID 115359482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate (CID 115359540) is methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate is COC(=O)CNCC1(CO)CCCC1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The InChIKey is NXWGQEWWBZWIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-9(13)6-11-7-10(8-12)4-2-3-5-10/h11-12H,2-8H2,1H3.
What are the key properties of methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate?
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate is sourced from PubChem (CID 115359540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).