N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide

C10H20N2O3 — CID 83072487

IUPACN-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)CO)CCCN1
InChIInChI=1S/C10H20N2O3/c1-2-10(4-3-5-12-10)9(15)11-6-8(14)7-13/h8,12-14H,2-7H2,1H3,(H,11,15)
InChIKeyPBXMHUFATPGQNE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.01
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide

N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83072487) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83072487
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)CO)CCCN1
InChIInChI=1S/C10H20N2O3/c1-2-10(4-3-5-12-10)9(15)11-6-8(14)7-13/h8,12-14H,2-7H2,1H3,(H,11,15)
InChIKeyPBXMHUFATPGQNE-UHFFFAOYSA-N
XLogP-1.01
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 ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
N-(2,3-dihydroxypropyl)-2-methylpyrrolidine-2-carboxamide
CID 66169338
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-ethylpyrrolidine-2-carboxamide
CID 114009242
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-[(2R)-2,3-dihydroxypropyl]-1-methylcyclopropane-1-carboxamide
CID 165476452
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide (CID 83072487) is N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC(O)CO)CCCN1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is PBXMHUFATPGQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-10(4-3-5-12-10)9(15)11-6-8(14)7-13/h8,12-14H,2-7H2,1H3,(H,11,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83072487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).