N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide

C12H25N3O2 — CID 114761300

IUPACN-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
SMILESCCC(C)NC(=O)CN(C)CC1(O)CCNC1
InChIInChI=1S/C12H25N3O2/c1-4-10(2)14-11(16)7-15(3)9-12(17)5-6-13-8-12/h10,13,17H,4-9H2,1-3H3,(H,14,16)
InChIKeyYHXOAKKNKSUOLU-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.44
Rot. Bonds6

About N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide

N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide (PubChem CID 114761300) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
PubChem CID114761300
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
SMILESCCC(C)NC(=O)CN(C)CC1(O)CCNC1
InChIInChI=1S/C12H25N3O2/c1-4-10(2)14-11(16)7-15(3)9-12(17)5-6-13-8-12/h10,13,17H,4-9H2,1-3H3,(H,14,16)
InChIKeyYHXOAKKNKSUOLU-UHFFFAOYSA-N
XLogP-0.44
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,4-dimethyl-5-oxopiperazine-2-carboxamide dihydrochloride
CID 165806281
N-(tert-butyl)-2-[(3R)-3-hydroxy-3,4,4-trimethyl-1-pyrrolidinyl]acetamide
CID 72872411
1-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 103727486
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103728699
[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
CID 112737658
2-(Tert-butylamino)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 113241013
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113630215
(2S)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333360
2-Amino-1-(3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)propan-1-one
CID 119333376
(2R)-2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 119333388
1-(3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl)-2-(methylamino)ethan-1-one
CID 119800785
(2S)-2-amino-N-[2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 120168837

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide (CID 114761300) is N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide is CCC(C)NC(=O)CN(C)CC1(O)CCNC1.
What is the InChIKey of N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide?
The InChIKey is YHXOAKKNKSUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-10(2)14-11(16)7-15(3)9-12(17)5-6-13-8-12/h10,13,17H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide?
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 114761300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).