(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide

C9H18N2O — CID 68552101

IUPAC(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)8(10)7-5-3-4-6-7/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
InChIKeyOKKUWKBWPPNOFL-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide

(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide (PubChem CID 68552101) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
PubChem CID68552101
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C9H18N2O/c1-11(2)9(12)8(10)7-5-3-4-6-7/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
InChIKeyOKKUWKBWPPNOFL-QMMMGPOBSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide?
The IUPAC name of (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide (CID 68552101) is (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide.
What is the SMILES notation for (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide?
The canonical SMILES for (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide is CN(C)C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide?
The InChIKey is OKKUWKBWPPNOFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(2)9(12)8(10)7-5-3-4-6-7/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide?
(2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopentyl-N,N-dimethylacetamide is sourced from PubChem (CID 68552101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).