N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide

C12H24N2O3 — CID 103833245

IUPACN-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC(O)CC(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-8(2)4-9(15)6-14-12(16)11-5-10(17-3)7-13-11/h8-11,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyOIFNLQBNRJEXQK-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.11
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103833245) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID103833245
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCC(O)CC(C)C)C1
InChIInChI=1S/C12H24N2O3/c1-8(2)4-9(15)6-14-12(16)11-5-10(17-3)7-13-11/h8-11,13,15H,4-7H2,1-3H3,(H,14,16)
InChIKeyOIFNLQBNRJEXQK-UHFFFAOYSA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 81072617
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methoxypyrrolidine-2-carboxamide
CID 61215342
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099
4-methoxy-N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 114617212
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
4-methoxy-N-(6-methylheptan-2-yl)pyrrolidine-2-carboxamide
CID 61254446
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide (CID 103833245) is N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)NCC(O)CC(C)C)C1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is OIFNLQBNRJEXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)4-9(15)6-14-12(16)11-5-10(17-3)7-13-11/h8-11,13,15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103833245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).