[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid

C8H15NO6 — CID 118119974

IUPAC[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1C[C@H](OCCO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H15NO6/c10-1-2-15-5-3-4(9-8(13)14)6(11)7(5)12/h4-7,9-12H,1-3H2,(H,13,14)/t4-,5+,6+,7-/m1/s1
InChIKeyPXJKOZRDPMNSGD-JRTVQGFMSA-N
MW221.21 g/mol
LogP-1.87
Rot. Bonds4

About [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid

[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid (PubChem CID 118119974) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
PubChem CID118119974
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1C[C@H](OCCO)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H15NO6/c10-1-2-15-5-3-4(9-8(13)14)6(11)7(5)12/h4-7,9-12H,1-3H2,(H,13,14)/t4-,5+,6+,7-/m1/s1
InChIKeyPXJKOZRDPMNSGD-JRTVQGFMSA-N
XLogP-1.87
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid?
The IUPAC name of [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid (CID 118119974) is [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid is O=C(O)N[C@@H]1C[C@H](OCCO)[C@@H](O)[C@H]1O.
What is the InChIKey of [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid?
The InChIKey is PXJKOZRDPMNSGD-JRTVQGFMSA-N. The full InChI is InChI=1S/C8H15NO6/c10-1-2-15-5-3-4(9-8(13)14)6(11)7(5)12/h4-7,9-12H,1-3H2,(H,13,14)/t4-,5+,6+,7-/m1/s1.
What are the key properties of [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid?
[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid has a molecular weight of 221.21 g/mol, XLogP of -1.87, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid is sourced from PubChem (CID 118119974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).