N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide

C10H20N2O3 — CID 65314830

IUPACN-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(CO)CO)CCNC1
InChIInChI=1S/C10H20N2O3/c1-2-10(3-4-11-7-10)9(15)12-8(5-13)6-14/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyIXAXMODACOXVDK-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.15
Rot. Bonds5

About N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide

N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 65314830) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID65314830
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(CO)CO)CCNC1
InChIInChI=1S/C10H20N2O3/c1-2-10(3-4-11-7-10)9(15)12-8(5-13)6-14/h8,11,13-14H,2-7H2,1H3,(H,12,15)
InChIKeyIXAXMODACOXVDK-UHFFFAOYSA-N
XLogP-1.15
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
CID 63142451
N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 114113787
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
3-ethyl-N-[2-(2-hydroxyethyl)pentyl]pyrrolidine-3-carboxamide
CID 106116627
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide (CID 65314830) is N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NC(CO)CO)CCNC1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is IXAXMODACOXVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-10(3-4-11-7-10)9(15)12-8(5-13)6-14/h8,11,13-14H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65314830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).