N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide

C9H18N2O3 — CID 58978831

IUPACN-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
SMILESCCC1OC(C(=O)NCCN)CC1O
InChIInChI=1S/C9H18N2O3/c1-2-7-6(12)5-8(14-7)9(13)11-4-3-10/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyMYHCAECOGZJHLL-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.01
Rot. Bonds4

About N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide

N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide (PubChem CID 58978831) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
PubChem CID58978831
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
SMILESCCC1OC(C(=O)NCCN)CC1O
InChIInChI=1S/C9H18N2O3/c1-2-7-6(12)5-8(14-7)9(13)11-4-3-10/h6-8,12H,2-5,10H2,1H3,(H,11,13)
InChIKeyMYHCAECOGZJHLL-UHFFFAOYSA-N
XLogP-1.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-prop-2-ynylacetamide
CID 25390316
2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
CID 25390428
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[(2-methoxyacetyl)amino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 40781643
4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
CID 20762863
5-ethyl-4-hydroxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
CID 58978847
(3S,6R)-N-butyl-6-[[[(2S)-2-fluoropropanoyl]amino]methyl]-3,4,5-trihydroxyoxane-2-carboxamide
CID 71120937
4-hydroxy-5-(hydroxymethyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]oxolane-2-carboxamide
CID 89242079
4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
CID 89328487
2-[(2S,3R,4S,5R)-5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 40777952
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 40781641
4-hydroxy-N-[2-[6-(methylamino)hexanoylamino]ethyl]-5-(phosphanylperoxyperoxyperoxyperoxyperoxymethyl)oxolane-2-carboxamide
CID 20762864
[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-piperazin-1-ylmethanone
CID 56632758

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide (CID 58978831) is N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide is CCC1OC(C(=O)NCCN)CC1O.
What is the InChIKey of N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide?
The InChIKey is MYHCAECOGZJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-7-6(12)5-8(14-7)9(13)11-4-3-10/h6-8,12H,2-5,10H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide?
N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide is sourced from PubChem (CID 58978831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).