2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide

C10H21N3O2 — CID 114761362

IUPAC2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C10H21N3O2/c1-3-8(9(11)14)13(2)7-10(15)4-5-12-6-10/h8,12,15H,3-7H2,1-2H3,(H2,11,14)
InChIKeyJMQXBEQXPTVFPH-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.09
Rot. Bonds5

About 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide

2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide (PubChem CID 114761362) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide.

Molecular Properties

Compound Name2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
PubChem CID114761362
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
SMILESCCC(C(N)=O)N(C)CC1(O)CCNC1
InChIInChI=1S/C10H21N3O2/c1-3-8(9(11)14)13(2)7-10(15)4-5-12-6-10/h8,12,15H,3-7H2,1-2H3,(H2,11,14)
InChIKeyJMQXBEQXPTVFPH-UHFFFAOYSA-N
XLogP-1.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3-dimethylpentanamide
CID 114873917
4-[[methyl(pentan-3-yl)amino]methyl]piperidin-4-ol
CID 62221672
N-butan-2-yl-2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]acetamide
CID 114761300
3-(diethylaminomethyl)pyrrolidin-3-ol;hydrochloride
CID 46941652
2-[cyanomethyl(methyl)amino]butanamide
CID 62900421
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
CID 114246107
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
2-[methyl(2-piperazin-1-ylethyl)amino]butanamide
CID 63266206
2-[methyl(propyl)amino]butanamide
CID 62900463
3-[[3-hydroxybutyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761156
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 114761399
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide?
The IUPAC name of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide (CID 114761362) is 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide.
What is the SMILES notation for 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide?
The canonical SMILES for 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide is CCC(C(N)=O)N(C)CC1(O)CCNC1.
What is the InChIKey of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide?
The InChIKey is JMQXBEQXPTVFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-3-8(9(11)14)13(2)7-10(15)4-5-12-6-10/h8,12,15H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide?
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide has a molecular weight of 215.30 g/mol, XLogP of -1.09, 5 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]butanamide is sourced from PubChem (CID 114761362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).