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

C13H27N3O2 — CID 114761399

IUPAC2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)CC1(O)CCNC1
InChIInChI=1S/C13H27N3O2/c1-5-12(2,3)15-11(17)8-16(4)10-13(18)6-7-14-9-13/h14,18H,5-10H2,1-4H3,(H,15,17)
InChIKeyLEIKXJNGMFWAMU-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.05
Rot. Bonds6

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

2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 114761399) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID114761399
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(C)CC1(O)CCNC1
InChIInChI=1S/C13H27N3O2/c1-5-12(2,3)15-11(17)8-16(4)10-13(18)6-7-14-9-13/h14,18H,5-10H2,1-4H3,(H,15,17)
InChIKeyLEIKXJNGMFWAMU-UHFFFAOYSA-N
XLogP-0.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761074
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761300
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442688
N-(2-methylbutan-2-yl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636496
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
3-[[ethyl(methyl)amino]methyl]piperidin-3-ol
CID 126971368
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
2-methyl-3-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoic acid
CID 55007733
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
CID 114761362
3-[[2-(2-methoxyethoxy)ethyl-methylamino]methyl]pyrrolidin-3-ol
CID 114761139
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide (CID 114761399) is 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(C)CC1(O)CCNC1.
What is the InChIKey of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LEIKXJNGMFWAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-12(2,3)15-11(17)8-16(4)10-13(18)6-7-14-9-13/h14,18H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 257.38 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114761399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).