(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one

C9H18FN3O — CID 144942257

IUPAC(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one
SMILESC[C@]1(CN)CCN(C(=O)[C@@H](N)CF)C1
InChIInChI=1S/C9H18FN3O/c1-9(5-11)2-3-13(6-9)8(14)7(12)4-10/h7H,2-6,11-12H2,1H3/t7-,9+/m0/s1
InChIKeyNKUODSLIGOVXSD-IONNQARKSA-N
MW203.26 g/mol
LogP-0.52
Rot. Bonds3

About (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one

(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one (PubChem CID 144942257) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one
PubChem CID144942257
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one
SMILESC[C@]1(CN)CCN(C(=O)[C@@H](N)CF)C1
InChIInChI=1S/C9H18FN3O/c1-9(5-11)2-3-13(6-9)8(14)7(12)4-10/h7H,2-6,11-12H2,1H3/t7-,9+/m0/s1
InChIKeyNKUODSLIGOVXSD-IONNQARKSA-N
XLogP-0.52
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one (CID 144942257) is (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one is C[C@]1(CN)CCN(C(=O)[C@@H](N)CF)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one?
The InChIKey is NKUODSLIGOVXSD-IONNQARKSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-9(5-11)2-3-13(6-9)8(14)7(12)4-10/h7H,2-6,11-12H2,1H3/t7-,9+/m0/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one?
(2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one has a molecular weight of 203.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-fluoropropan-1-one is sourced from PubChem (CID 144942257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).