2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

C12H24N4O2 — CID 63267514

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCNCC1CCN(CC(=O)NC(=O)NC(C)C)C1
InChIInChI=1S/C12H24N4O2/c1-9(2)14-12(18)15-11(17)8-16-5-4-10(7-16)6-13-3/h9-10,13H,4-8H2,1-3H3,(H2,14,15,17,18)
InChIKeyRQUSKAOQTFQKAA-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.24
Rot. Bonds5

About 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 63267514) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID63267514
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCNCC1CCN(CC(=O)NC(=O)NC(C)C)C1
InChIInChI=1S/C12H24N4O2/c1-9(2)14-12(18)15-11(17)8-16-5-4-10(7-16)6-13-3/h9-10,13H,4-8H2,1-3H3,(H2,14,15,17,18)
InChIKeyRQUSKAOQTFQKAA-UHFFFAOYSA-N
XLogP-0.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 80552476
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-[3-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119914462
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
CID 79608129
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
2-(4-methylpiperidin-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 8543273
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
N-ethyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 63264164
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
N-tert-butyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119922204
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide (CID 63267514) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is CNCC1CCN(CC(=O)NC(=O)NC(C)C)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is RQUSKAOQTFQKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)14-12(18)15-11(17)8-16-5-4-10(7-16)6-13-3/h9-10,13H,4-8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 63267514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).