[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid

C7H10N2O3 — CID 126623804

IUPAC[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid
SMILESN#C[C@@H]1CC(NC(=O)O)[C@H](O)C1
InChIInChI=1S/C7H10N2O3/c8-3-4-1-5(6(10)2-4)9-7(11)12/h4-6,9-10H,1-2H2,(H,11,12)/t4-,5?,6-/m1/s1
InChIKeyGBQSGPRBDKHBGY-SPWIIUKKSA-N
MW170.17 g/mol
LogP-0.08
Rot. Bonds1

About [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid

[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid (PubChem CID 126623804) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid
PubChem CID126623804
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid
SMILESN#C[C@@H]1CC(NC(=O)O)[C@H](O)C1
InChIInChI=1S/C7H10N2O3/c8-3-4-1-5(6(10)2-4)9-7(11)12/h4-6,9-10H,1-2H2,(H,11,12)/t4-,5?,6-/m1/s1
InChIKeyGBQSGPRBDKHBGY-SPWIIUKKSA-N
XLogP-0.08
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
N-(3-cyanocyclobutyl)-2,2,2-trifluoroacetamide
CID 166666239
N-(3-cyanocyclobutyl)propanamide
CID 156794436
[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
CID 118036175
3-cyanocyclobutane-1-carboxamide
CID 168932010
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
(2-methoxycyclopropyl)carbamic acid
CID 91613377
(2-amino-3-hydroxycyclohexyl)carbamic acid
CID 122516503
[(1S,4R)-4-aminocyclopent-2-en-1-yl]carbamic acid
CID 67632983
benzene;4-hydroxycyclohexane-1-carbonitrile
CID 143916958
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid?
The IUPAC name of [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid (CID 126623804) is [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid.
What is the SMILES notation for [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid?
The canonical SMILES for [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid is N#C[C@@H]1CC(NC(=O)O)[C@H](O)C1.
What is the InChIKey of [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid?
The InChIKey is GBQSGPRBDKHBGY-SPWIIUKKSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-3-4-1-5(6(10)2-4)9-7(11)12/h4-6,9-10H,1-2H2,(H,11,12)/t4-,5?,6-/m1/s1.
What are the key properties of [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid?
[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid has a molecular weight of 170.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid is sourced from PubChem (CID 126623804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).