1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone

C16H23N3O — CID 90197363

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone
SMILESC[C@]1(NCC(=O)N2CC[C@H](N)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-16(9-14(16)12-5-3-2-4-6-12)18-10-15(20)19-8-7-13(17)11-19/h2-6,13-14,18H,7-11,17H2,1H3/t13-,14-,16-/m0/s1
InChIKeyYFZOLAHWNSISJL-DZKIICNBSA-N
MW273.38 g/mol
LogP1.08
Rot. Bonds4

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone

1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone (PubChem CID 90197363) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone
PubChem CID90197363
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone
SMILESC[C@]1(NCC(=O)N2CC[C@H](N)C2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H23N3O/c1-16(9-14(16)12-5-3-2-4-6-12)18-10-15(20)19-8-7-13(17)11-19/h2-6,13-14,18H,7-11,17H2,1H3/t13-,14-,16-/m0/s1
InChIKeyYFZOLAHWNSISJL-DZKIICNBSA-N
XLogP1.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone with MolForge

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Related Compounds

benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamic acid
CID 146225835
[2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 135240082
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136
N-[2-[(3R,4S)-4-amino-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;methane;sulfane
CID 158027672
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
(3R)-3-amino-N-phenylpyrrolidine-1-carboxamide
CID 94340040
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119410927
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenylmethoxypropan-1-one;hydrochloride
CID 119410321

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone (CID 90197363) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone is C[C@]1(NCC(=O)N2CC[C@H](N)C2)C[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone?
The InChIKey is YFZOLAHWNSISJL-DZKIICNBSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(9-14(16)12-5-3-2-4-6-12)18-10-15(20)19-8-7-13(17)11-19/h2-6,13-14,18H,7-11,17H2,1H3/t13-,14-,16-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-[[(1S,2S)-1-methyl-2-phenylcyclopropyl]amino]ethanone is sourced from PubChem (CID 90197363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).