[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

C9H16N2O3 — CID 107220721

IUPAC[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1
InChIInChI=1S/C9H16N2O3/c10-5-9(1-2-9)8(14)11-3-6(12)7(13)4-11/h6-7,12-13H,1-5,10H2/t6-,7+
InChIKeyLJHHZFMRVKQIRI-KNVOCYPGSA-N
MW200.24 g/mol
LogP-1.71
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone

[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (PubChem CID 107220721) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
PubChem CID107220721
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1
InChIInChI=1S/C9H16N2O3/c10-5-9(1-2-9)8(14)11-3-6(12)7(13)4-11/h6-7,12-13H,1-5,10H2/t6-,7+
InChIKeyLJHHZFMRVKQIRI-KNVOCYPGSA-N
XLogP-1.71
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
[1-(aminomethyl)cyclopropyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107220452
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219374
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
[1-(aminomethyl)cyclopropyl]-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 80599587
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
CID 80598636
(2S,4S)-1-[1-(aminomethyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115453405
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 80599028

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone (CID 107220721) is [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is NCC1(C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
The InChIKey is LJHHZFMRVKQIRI-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-5-9(1-2-9)8(14)11-3-6(12)7(13)4-11/h6-7,12-13H,1-5,10H2/t6-,7+.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone?
[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone has a molecular weight of 200.24 g/mol, XLogP of -1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 107220721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).