4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide

C11H22N2O3 — CID 65048907

IUPAC4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCOCC(NC(=O)C1CC(O)CN1)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(6-16-3)13-11(15)9-4-8(14)5-12-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyCWVAKBYSJJWDNQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.50
Rot. Bonds5

About 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 65048907) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID65048907
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCOCC(NC(=O)C1CC(O)CN1)C(C)C
InChIInChI=1S/C11H22N2O3/c1-7(2)10(6-16-3)13-11(15)9-4-8(14)5-12-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15)
InChIKeyCWVAKBYSJJWDNQ-UHFFFAOYSA-N
XLogP-0.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 54958945
4-hydroxy-N-(1-methoxyhexan-2-yl)pyrrolidine-2-carboxamide
CID 119795711
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
1-methoxypropan-2-yl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 64712692
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65048853
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053
tert-butyl (2S)-2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoate
CID 165351513

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide (CID 65048907) is 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide is COCC(NC(=O)C1CC(O)CN1)C(C)C.
What is the InChIKey of 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CWVAKBYSJJWDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(2)10(6-16-3)13-11(15)9-4-8(14)5-12-9/h7-10,12,14H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 65048907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).