(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide

C10H20N2O3 — CID 106247580

IUPAC(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
SMILESCOCC(O)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20N2O3/c1-15-7-8(13)4-6-12-10(14)9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDZCLUVZHDPTAIB-GKAPJAKFSA-N
MW216.28 g/mol
LogP-0.75
Rot. Bonds6

About (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide

(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide (PubChem CID 106247580) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
PubChem CID106247580
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
SMILESCOCC(O)CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H20N2O3/c1-15-7-8(13)4-6-12-10(14)9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyDZCLUVZHDPTAIB-GKAPJAKFSA-N
XLogP-0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
CID 106247563
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(2-ethoxyethyl)pyrrolidine-2-carboxamide
CID 43591374
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide (CID 106247580) is (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide is COCC(O)CCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide?
The InChIKey is DZCLUVZHDPTAIB-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-7-8(13)4-6-12-10(14)9-3-2-5-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 106247580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).