2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide

C9H18N2O2 — CID 174684820

IUPAC2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(O)CCC(N)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)8(12)6-9(13)4-3-7(10)5-9/h7,13H,3-6,10H2,1-2H3
InChIKeyFAYBOJUPIVMJPM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.29
Rot. Bonds2

About 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide

2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide (PubChem CID 174684820) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide
PubChem CID174684820
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1(O)CCC(N)C1
InChIInChI=1S/C9H18N2O2/c1-11(2)8(12)6-9(13)4-3-7(10)5-9/h7,13H,3-6,10H2,1-2H3
InChIKeyFAYBOJUPIVMJPM-UHFFFAOYSA-N
XLogP-0.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide (CID 174684820) is 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide is CN(C)C(=O)CC1(O)CCC(N)C1.
What is the InChIKey of 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide?
The InChIKey is FAYBOJUPIVMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11(2)8(12)6-9(13)4-3-7(10)5-9/h7,13H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide?
2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide has a molecular weight of 186.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-hydroxycyclopentyl)-N,N-dimethylacetamide is sourced from PubChem (CID 174684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).