N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide

C8H15NO3 — CID 23103472

IUPACN-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCC(O)C1O
InChIInChI=1S/C8H15NO3/c1-2-9-8(12)5-3-4-6(10)7(5)11/h5-7,10-11H,2-4H2,1H3,(H,9,12)
InChIKeyQLLIPBVYTKAGER-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.75
Rot. Bonds2

About N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide

N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide (PubChem CID 23103472) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
PubChem CID23103472
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-ethyl-2,3-dihydroxycyclopentane-1-carboxamide
SMILESCCNC(=O)C1CCC(O)C1O
InChIInChI=1S/C8H15NO3/c1-2-9-8(12)5-3-4-6(10)7(5)11/h5-7,10-11H,2-4H2,1H3,(H,9,12)
InChIKeyQLLIPBVYTKAGER-UHFFFAOYSA-N
XLogP-0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide (CID 23103472) is N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide is CCNC(=O)C1CCC(O)C1O.
What is the InChIKey of N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
The InChIKey is QLLIPBVYTKAGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-9-8(12)5-3-4-6(10)7(5)11/h5-7,10-11H,2-4H2,1H3,(H,9,12).
What are the key properties of N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide?
N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide has a molecular weight of 173.21 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dihydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 23103472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).