[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

C10H17FN2O — CID 130621724

IUPAC[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C10H17FN2O/c1-6-2-9(6)10(14)13-5-7(11)3-8(13)4-12/h6-9H,2-5,12H2,1H3/t6?,7-,8-,9?/m0/s1
InChIKeyRGGZCXDPQFDIFH-QXNPHUFVSA-N
MW200.26 g/mol
LogP0.54
Rot. Bonds2

About [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone

[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 130621724) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID130621724
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)N1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C10H17FN2O/c1-6-2-9(6)10(14)13-5-7(11)3-8(13)4-12/h6-9H,2-5,12H2,1H3/t6?,7-,8-,9?/m0/s1
InChIKeyRGGZCXDPQFDIFH-QXNPHUFVSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone (CID 130621724) is [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is CC1CC1C(=O)N1C[C@@H](F)C[C@H]1CN.
What is the InChIKey of [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is RGGZCXDPQFDIFH-QXNPHUFVSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-6-2-9(6)10(14)13-5-7(11)3-8(13)4-12/h6-9H,2-5,12H2,1H3/t6?,7-,8-,9?/m0/s1.
What are the key properties of [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone?
[(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 200.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(aminomethyl)-4-fluoropyrrolidin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 130621724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).