2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

C11H21N3O — CID 96554851

IUPAC2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCN(C[C@@H]1CCN(C(=O)CN)C1)C1CC1
InChIInChI=1S/C11H21N3O/c1-13(10-2-3-10)7-9-4-5-14(8-9)11(15)6-12/h9-10H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyVTSKZFAPJIHPBJ-VIFPVBQESA-N
MW211.31 g/mol
LogP-0.11
Rot. Bonds4

About 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone

2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 96554851) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
PubChem CID96554851
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
SMILESCN(C[C@@H]1CCN(C(=O)CN)C1)C1CC1
InChIInChI=1S/C11H21N3O/c1-13(10-2-3-10)7-9-4-5-14(8-9)11(15)6-12/h9-10H,2-8,12H2,1H3/t9-/m0/s1
InChIKeyVTSKZFAPJIHPBJ-VIFPVBQESA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
2-amino-1-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554850
4-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carboxylic acid
CID 22047732
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
(3R)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 137462517
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylacetamide
CID 96554531
3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
CID 174821287

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 96554851) is 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is CN(C[C@@H]1CCN(C(=O)CN)C1)C1CC1.
What is the InChIKey of 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is VTSKZFAPJIHPBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O/c1-13(10-2-3-10)7-9-4-5-14(8-9)11(15)6-12/h9-10H,2-8,12H2,1H3/t9-/m0/s1.
What are the key properties of 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone?
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 211.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 96554851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).