N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide

C11H22N2O3 — CID 106247563

IUPACN-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCNC1C
InChIInChI=1S/C11H22N2O3/c1-8-10(4-6-12-8)11(15)13-5-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyBDRCUWCKSSTLSL-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.50
Rot. Bonds6

About N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide

N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 106247563) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID106247563
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide
SMILESCOCC(O)CCNC(=O)C1CCNC1C
InChIInChI=1S/C11H22N2O3/c1-8-10(4-6-12-8)11(15)13-5-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyBDRCUWCKSSTLSL-UHFFFAOYSA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
(2S)-N-(3-hydroxy-4-methoxybutyl)pyrrolidine-2-carboxamide
CID 106247580
(3S,4S)-N-(3-hydroxy-4-methoxybutyl)-4-methylpyrrolidine-3-carboxamide
CID 106247472
4-methyl-6-[(2-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 79384720
N-(3-hydroxy-4-methoxybutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103877346
N-[2-(dimethylamino)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79383065
ethyl 3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 79389205
N-(3-hydroxy-4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 106247356
2-methyl-N-pent-3-ynylpyrrolidine-3-carboxamide
CID 116644086
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79382747

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide (CID 106247563) is N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide is COCC(O)CCNC(=O)C1CCNC1C.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is BDRCUWCKSSTLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8-10(4-6-12-8)11(15)13-5-3-9(14)7-16-2/h8-10,12,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106247563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).