[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid

C8H16N2O2 — CID 170429908

IUPAC[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
SMILESCN(C)[C@H]1CCC[C@H]1NC(=O)O
InChIInChI=1S/C8H16N2O2/c1-10(2)7-5-3-4-6(7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyQXUWRPLMXBIRQK-RQJHMYQMSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds2

About [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid

[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid (PubChem CID 170429908) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
PubChem CID170429908
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid
SMILESCN(C)[C@H]1CCC[C@H]1NC(=O)O
InChIInChI=1S/C8H16N2O2/c1-10(2)7-5-3-4-6(7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyQXUWRPLMXBIRQK-RQJHMYQMSA-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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Related Compounds

tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
2-[[(1S,2S)-2-(dimethylamino)cyclohexyl]amino]acetic acid
CID 96885494
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
N-[2-(dimethylamino)cyclopentyl]formamide
CID 23349737
4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
CID 23349769
4-bromo-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]benzamide
CID 6328449
(2-butylcyclopentyl)carbamic acid
CID 142463044
trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 134429389
4-bromo-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]benzamide;hydrochloride
CID 165362467
4-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)cyclohexyl]piperidine-1-carboxamide
CID 167819747
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714
(Z)-N-[2-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 129442354

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid?
The IUPAC name of [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid (CID 170429908) is [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid is CN(C)[C@H]1CCC[C@H]1NC(=O)O.
What is the InChIKey of [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid?
The InChIKey is QXUWRPLMXBIRQK-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)7-5-3-4-6(7)9-8(11)12/h6-7,9H,3-5H2,1-2H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid?
[(1R,2S)-2-(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 [(1R,2S)-2-(dimethylamino)cyclopentyl]carbamic acid is sourced from PubChem (CID 170429908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).