1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone

C11H21N3O — CID 66565543

IUPAC1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](N(CCN)C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-9(15)13-6-4-11(8-13)14(7-5-12)10-2-3-10/h10-11H,2-8,12H2,1H3/t11-/m1/s1
InChIKeyMVHUJJUHDDLCOZ-LLVKDONJSA-N
MW211.31 g/mol
LogP0.03
Rot. Bonds4

About 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone

1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone (PubChem CID 66565543) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone
PubChem CID66565543
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC[C@@H](N(CCN)C2CC2)C1
InChIInChI=1S/C11H21N3O/c1-9(15)13-6-4-11(8-13)14(7-5-12)10-2-3-10/h10-11H,2-8,12H2,1H3/t11-/m1/s1
InChIKeyMVHUJJUHDDLCOZ-LLVKDONJSA-N
XLogP0.03
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[2-aminoethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66565532
[3-[2-aminoethyl(oxan-4-yl)amino]piperidin-1-yl]-cyclopropylmethanone
CID 172909026
1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
CID 115006793
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
N',N'-dicyclopentylethane-1,2-diamine
CID 20816831
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
1-[4-(aminomethyl)-3-chloropiperidin-1-yl]ethanone
CID 130787939
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone (CID 66565543) is 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone is CC(=O)N1CC[C@@H](N(CCN)C2CC2)C1.
What is the InChIKey of 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone?
The InChIKey is MVHUJJUHDDLCOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(15)13-6-4-11(8-13)14(7-5-12)10-2-3-10/h10-11H,2-8,12H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone?
1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone has a molecular weight of 211.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-aminoethyl(cyclopropyl)amino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66565543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).