4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide

C12H24N2O3 — CID 119795711

IUPAC4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(COC)NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H24N2O3/c1-3-4-5-9(8-17-2)14-12(16)11-6-10(15)7-13-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyAKGYSSAKVCYZFM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds7

About 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 119795711) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
PubChem CID119795711
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(COC)NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H24N2O3/c1-3-4-5-9(8-17-2)14-12(16)11-6-10(15)7-13-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyAKGYSSAKVCYZFM-UHFFFAOYSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907
N-(1-methoxyhexan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119330337
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
butyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 63843699
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
octan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64714614
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
bis[6-(2-hexyldecanoyloxy)hexyl] (2S)-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]pentanedioate
CID 178143714
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide (CID 119795711) is 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide is CCCCC(COC)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is AKGYSSAKVCYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-5-9(8-17-2)14-12(16)11-6-10(15)7-13-11/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119795711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).