[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid

C8H16N2O2 — CID 21308730

IUPAC[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid
SMILESCN(C)[C@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)7-4-3-6(5-7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyXFCZEAPWSVGYTJ-BQBZGAKWSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds2

About [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid

[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid (PubChem CID 21308730) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid
PubChem CID21308730
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid
SMILESCN(C)[C@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)7-4-3-6(5-7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKeyXFCZEAPWSVGYTJ-BQBZGAKWSA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid?
The IUPAC name of [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid (CID 21308730) is [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid is CN(C)[C@H]1CC[C@H](NC(=O)O)C1.
What is the InChIKey of [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid?
The InChIKey is XFCZEAPWSVGYTJ-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)7-4-3-6(5-7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7-/m0/s1.
What are the key properties of [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid?
[(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(dimethylamino)cyclopentyl]carbamic acid is sourced from PubChem (CID 21308730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).