N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

C12H25N3O2 — CID 54958945

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H25N3O2/c1-8(2)11(7-15(3)4)14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,5-7H2,1-4H3,(H,14,17)
InChIKeyULHYYZWEVJCKOL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.59
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 54958945) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID54958945
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H25N3O2/c1-8(2)11(7-15(3)4)14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,5-7H2,1-4H3,(H,14,17)
InChIKeyULHYYZWEVJCKOL-UHFFFAOYSA-N
XLogP-0.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.59
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-(dimethylamino)-3-methylbutan-2-yl]piperidine-2-carboxamide
CID 54958647
N-[1-(dimethylamino)-3-methylbutan-2-yl]azepane-2-carboxamide
CID 64562293
(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
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 54958945) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)C(CN(C)C)NC(=O)C1CC(O)CN1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ULHYYZWEVJCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)11(7-15(3)4)14-12(17)10-5-9(16)6-13-10/h8-11,13,16H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).